NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
505198 |
2eox   |
10208 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -39.503 -8.038 14.497
2 HA2 GLY 1 1HA GLY 1 -39.160 -6.751 11.858
3 HA3 GLY 1 2HA GLY 1 -38.095 -6.455 13.225
4 H SER 2 H SER 2 -36.457 -7.876 13.681
5 HA SER 2 HA SER 2 -34.914 -9.511 13.327
6 HB2 SER 2 1HB SER 2 -36.852 -11.034 13.649
7 HB3 SER 2 2HB SER 2 -37.156 -10.975 11.913
8 HG SER 2 HG SER 2 -34.780 -11.911 13.156
9 H SER 3 H SER 3 -34.959 -7.364 11.564
10 HA SER 3 HA SER 3 -34.967 -8.018 8.845
11 HB2 SER 3 1HB SER 3 -34.877 -5.697 9.906
12 HB3 SER 3 2HB SER 3 -33.141 -5.956 10.082
13 HG SER 3 HG SER 3 -34.636 -5.939 7.670
14 H GLY 4 H GLY 4 -32.299 -8.001 11.194
15 HA2 GLY 4 1HA GLY 4 -30.875 -10.124 10.692
16 HA3 GLY 4 2HA GLY 4 -30.565 -9.266 9.190
17 H SER 5 H SER 5 -28.349 -9.125 9.598
18 HA SER 5 HA SER 5 -27.626 -6.952 11.398
19 HB2 SER 5 1HB SER 5 -27.376 -9.258 12.560
20 HB3 SER 5 2HB SER 5 -25.988 -9.474 11.494
21 HG SER 5 HG SER 5 -26.282 -7.864 13.701
22 H SER 6 H SER 6 -25.434 -6.146 11.005
23 HA SER 6 HA SER 6 -24.410 -6.841 8.335
24 HB2 SER 6 1HB SER 6 -24.127 -4.538 7.758
25 HB3 SER 6 2HB SER 6 -25.779 -4.709 8.350
26 HG SER 6 HG SER 6 -23.732 -3.223 9.341
27 H GLY 7 H GLY 7 -22.159 -6.286 7.980
28 HA2 GLY 7 1HA GLY 7 -20.185 -5.258 9.266
29 HA3 GLY 7 2HA GLY 7 -20.633 -6.431 10.495
30 H THR 8 H THR 8 -19.044 -5.911 7.482
31 HA THR 8 HA THR 8 -18.247 -8.750 7.432
32 HB THR 8 HB THR 8 -19.603 -8.128 5.461
33 HG1 THR 8 HG1 THR 8 -17.773 -8.669 3.901
34 HG21 THR 8 3HG2 THR 8 -18.063 -6.667 3.805
35 HG22 THR 8 1HG2 THR 8 -17.627 -5.933 5.347
36 HG23 THR 8 2HG2 THR 8 -19.314 -5.969 4.833
37 H ASP 9 H ASP 9 -16.079 -9.192 6.681
38 HA ASP 9 HA ASP 9 -14.218 -6.940 6.727
39 HB2 ASP 9 1HB ASP 9 -14.300 -7.685 9.048
40 HB3 ASP 9 2HB ASP 9 -13.987 -9.345 8.548
41 H SER 10 H SER 10 -13.248 -7.133 4.817
42 HA SER 10 HA SER 10 -12.271 -9.798 4.022
43 HB2 SER 10 1HB SER 10 -12.721 -9.313 1.732
44 HB3 SER 10 2HB SER 10 -14.177 -8.866 2.621
45 HG SER 10 HG SER 10 -13.919 -6.907 1.934
46 H LYS 11 H LYS 11 -10.138 -9.877 4.167
47 HA LYS 11 HA LYS 11 -8.367 -7.875 4.644
48 HB2 LYS 11 1HB LYS 11 -6.606 -9.333 3.770
49 HB3 LYS 11 2HB LYS 11 -7.769 -10.248 4.720
50 HG2 LYS 11 1HG LYS 11 -8.869 -10.921 2.584
51 HG3 LYS 11 2HG LYS 11 -7.534 -10.152 1.723
52 HD2 LYS 11 1HD LYS 11 -5.963 -11.637 2.951
53 HD3 LYS 11 2HD LYS 11 -7.355 -12.462 3.656
54 HE2 LYS 11 1HE LYS 11 -8.063 -13.266 1.548
55 HE3 LYS 11 2HE LYS 11 -6.967 -12.187 0.686
56 HZ1 LYS 11 3HZ LYS 11 -5.930 -14.250 2.525
57 HZ2 LYS 11 1HZ LYS 11 -5.134 -13.467 1.254
58 HZ3 LYS 11 2HZ LYS 11 -6.316 -14.631 0.923
59 H SER 12 H SER 12 -7.660 -6.147 3.588
60 HA SER 12 HA SER 12 -7.054 -6.133 0.813
61 HB2 SER 12 1HB SER 12 -9.701 -5.087 1.693
62 HB3 SER 12 2HB SER 12 -8.817 -4.151 0.487
63 HG SER 12 HG SER 12 -9.688 -5.539 -0.838
64 H TYR 13 H TYR 13 -5.231 -5.009 0.929
65 HA TYR 13 HA TYR 13 -5.005 -2.774 2.791
66 HB2 TYR 13 1HB TYR 13 -2.832 -3.858 1.003
67 HB3 TYR 13 2HB TYR 13 -2.652 -2.909 2.474
68 HD1 TYR 13 HD1 TYR 13 -3.366 -6.239 1.109
69 HD2 TYR 13 HD2 TYR 13 -2.821 -3.947 4.653
70 HE1 TYR 13 HE1 TYR 13 -3.155 -8.315 2.412
71 HE2 TYR 13 HE2 TYR 13 -2.607 -6.016 5.965
72 HH TYR 13 HH TYR 13 -3.312 -8.397 5.776
73 H ASN 14 H ASN 14 -5.456 -0.789 2.136
74 HA ASN 14 HA ASN 14 -4.836 -0.042 -0.643
75 HB2 ASN 14 1HB ASN 14 -6.901 1.568 -0.266
76 HB3 ASN 14 2HB ASN 14 -7.133 -0.088 -0.820
77 HD21 ASN 14 1HD2 ASN 14 -8.457 -1.341 0.294
78 HD22 ASN 14 2HD2 ASN 14 -9.065 -1.008 1.876
79 H CYS 15 H CYS 15 -3.825 1.875 -0.922
80 HA CYS 15 HA CYS 15 -2.656 3.146 1.337
81 HB2 CYS 15 1HB CYS 15 -1.602 2.961 -0.938
82 HB3 CYS 15 2HB CYS 15 -2.744 4.176 -1.504
83 H ASN 16 H ASN 16 -3.800 4.378 2.678
84 HA ASN 16 HA ASN 16 -6.098 5.873 1.769
85 HB2 ASN 16 1HB ASN 16 -6.650 6.123 3.991
86 HB3 ASN 16 2HB ASN 16 -5.667 4.665 4.084
87 HD21 ASN 16 1HD2 ASN 16 -6.258 7.393 5.639
88 HD22 ASN 16 2HD2 ASN 16 -4.709 7.722 6.331
89 H GLU 17 H GLU 17 -3.130 6.489 1.099
90 HA GLU 17 HA GLU 17 -3.048 9.273 2.016
91 HB2 GLU 17 1HB GLU 17 -0.918 7.685 0.574
92 HB3 GLU 17 2HB GLU 17 -0.729 9.283 1.282
93 HG2 GLU 17 1HG GLU 17 -1.447 6.847 2.886
94 HG3 GLU 17 2HG GLU 17 0.212 7.376 2.612
95 H CYS 18 H CYS 18 -3.062 7.302 -0.911
96 HA CYS 18 HA CYS 18 -3.601 9.745 -2.470
97 HB2 CYS 18 1HB CYS 18 -2.673 8.499 -4.429
98 HB3 CYS 18 2HB CYS 18 -1.489 8.820 -3.165
99 H GLY 19 H GLY 19 -4.252 6.252 -2.281
100 HA2 GLY 19 1HA GLY 19 -6.681 5.686 -2.235
101 HA3 GLY 19 2HA GLY 19 -6.843 6.779 -3.602
102 H LYS 20 H LYS 20 -4.738 4.035 -2.722
103 HA LYS 20 HA LYS 20 -5.465 2.776 -5.276
104 HB2 LYS 20 1HB LYS 20 -3.202 3.942 -5.339
105 HB3 LYS 20 2HB LYS 20 -2.657 2.740 -4.177
106 HG2 LYS 20 1HG LYS 20 -2.890 0.986 -5.713
107 HG3 LYS 20 2HG LYS 20 -3.876 1.962 -6.804
108 HD2 LYS 20 1HD LYS 20 -1.098 2.849 -6.182
109 HD3 LYS 20 2HD LYS 20 -1.335 1.513 -7.312
110 HE2 LYS 20 1HE LYS 20 -2.751 2.906 -8.702
111 HE3 LYS 20 2HE LYS 20 -2.624 4.231 -7.546
112 HZ1 LYS 20 3HZ LYS 20 -0.637 4.823 -8.337
113 HZ2 LYS 20 1HZ LYS 20 -1.032 3.894 -9.694
114 HZ3 LYS 20 2HZ LYS 20 -0.084 3.229 -8.462
115 H ALA 21 H ALA 21 -6.168 0.766 -5.014
116 HA ALA 21 HA ALA 21 -5.722 -0.564 -2.448
117 HB1 ALA 21 3HB ALA 21 -7.428 -2.059 -4.186
118 HB2 ALA 21 1HB ALA 21 -7.817 -1.256 -2.665
119 HB3 ALA 21 2HB ALA 21 -7.931 -0.369 -4.185
120 H PHE 22 H PHE 22 -4.491 -2.331 -2.210
121 HA PHE 22 HA PHE 22 -3.388 -3.567 -4.647
122 HB2 PHE 22 1HB PHE 22 -2.061 -3.296 -1.941
123 HB3 PHE 22 2HB PHE 22 -1.354 -4.049 -3.367
124 HD1 PHE 22 HD1 PHE 22 -2.313 -0.886 -1.797
125 HD2 PHE 22 HD2 PHE 22 -0.506 -2.722 -5.185
126 HE1 PHE 22 HE1 PHE 22 -1.404 1.293 -2.489
127 HE2 PHE 22 HE2 PHE 22 0.407 -0.547 -5.881
128 HZ PHE 22 HZ PHE 22 -0.040 1.465 -4.533
129 H THR 23 H THR 23 -2.526 -5.842 -4.185
130 HA THR 23 HA THR 23 -4.695 -7.348 -2.965
131 HB THR 23 HB THR 23 -2.316 -8.265 -4.590
132 HG1 THR 23 HG1 THR 23 -4.374 -7.077 -5.446
133 HG21 THR 23 3HG2 THR 23 -3.293 -9.899 -2.859
134 HG22 THR 23 1HG2 THR 23 -3.147 -10.454 -4.526
135 HG23 THR 23 2HG2 THR 23 -4.714 -9.938 -3.902
136 H ARG 24 H ARG 24 -1.142 -7.216 -2.749
137 HA ARG 24 HA ARG 24 -1.276 -8.694 -0.221
138 HB2 ARG 24 1HB ARG 24 1.092 -7.982 -1.963
139 HB3 ARG 24 2HB ARG 24 1.179 -8.908 -0.471
140 HG2 ARG 24 1HG ARG 24 1.147 -10.616 -1.962
141 HG3 ARG 24 2HG ARG 24 -0.591 -10.416 -1.730
142 HD2 ARG 24 1HD ARG 24 -0.883 -9.401 -3.779
143 HD3 ARG 24 2HD ARG 24 0.791 -8.852 -3.861
144 HE ARG 24 HE ARG 24 0.556 -11.702 -3.950
145 HH11 ARG 24 1HH1 ARG 24 0.385 -8.789 -5.848
146 HH12 ARG 24 2HH1 ARG 24 0.779 -9.580 -7.338
147 HH21 ARG 24 1HH2 ARG 24 1.076 -12.756 -5.905
148 HH22 ARG 24 2HH2 ARG 24 1.171 -11.837 -7.369
149 H ILE 25 H ILE 25 0.760 -7.911 1.229
150 HA ILE 25 HA ILE 25 0.142 -5.115 1.848
151 HB ILE 25 HB ILE 25 -0.162 -6.668 3.688
152 HG12 ILE 25 1HG1 ILE 25 1.421 -5.615 5.341
153 HG13 ILE 25 2HG1 ILE 25 2.236 -4.851 3.980
154 HG21 ILE 25 1HG2 ILE 25 1.137 -8.467 3.799
155 HG22 ILE 25 2HG2 ILE 25 2.322 -7.751 2.708
156 HG23 ILE 25 3HG2 ILE 25 2.411 -7.429 4.439
157 HD11 ILE 25 3HD1 ILE 25 -0.587 -4.409 4.906
158 HD12 ILE 25 1HD1 ILE 25 0.753 -3.263 4.932
159 HD13 ILE 25 2HD1 ILE 25 0.061 -3.778 3.393
160 H PHE 26 H PHE 26 2.700 -7.175 0.763
161 HA PHE 26 HA PHE 26 4.844 -5.381 1.385
162 HB2 PHE 26 1HB PHE 26 6.259 -6.940 0.378
163 HB3 PHE 26 2HB PHE 26 4.939 -7.942 0.974
164 HD1 PHE 26 HD2 PHE 26 6.314 -6.312 -2.045
165 HD2 PHE 26 HD1 PHE 26 3.635 -9.232 -0.492
166 HE1 PHE 26 HE2 PHE 26 5.969 -7.198 -4.315
167 HE2 PHE 26 HE1 PHE 26 3.286 -10.123 -2.758
168 HZ PHE 26 HZ PHE 26 4.453 -9.105 -4.674
169 H HIS 27 H HIS 27 2.581 -5.719 -1.198
170 HA HIS 27 HA HIS 27 4.094 -4.298 -3.168
171 HB2 HIS 27 1HB HIS 27 2.135 -5.932 -3.543
172 HB3 HIS 27 2HB HIS 27 1.095 -4.562 -3.165
173 HD2 HIS 27 HD2 HIS 27 4.249 -3.921 -5.355
174 HE1 HIS 27 HE1 HIS 27 0.821 -3.709 -7.846
175 HE2 HIS 27 HE2 HIS 27 3.321 -3.424 -7.718
176 H LEU 28 H LEU 28 1.711 -3.439 -0.734
177 HA LEU 28 HA LEU 28 1.391 -0.742 -1.652
178 HB2 LEU 28 1HB LEU 28 -0.454 -1.537 -0.496
179 HB3 LEU 28 2HB LEU 28 0.531 -2.283 0.760
180 HG LEU 28 HG LEU 28 1.048 -0.028 1.640
181 HD11 LEU 28 1HD1 LEU 28 -0.166 1.898 0.864
182 HD12 LEU 28 2HD1 LEU 28 -1.028 0.924 -0.327
183 HD13 LEU 28 3HD1 LEU 28 0.708 1.183 -0.491
184 HD21 LEU 28 3HD2 LEU 28 -1.565 0.426 2.127
185 HD22 LEU 28 1HD2 LEU 28 -0.617 -0.824 2.933
186 HD23 LEU 28 2HD2 LEU 28 -1.635 -1.242 1.555
187 H THR 29 H THR 29 3.267 -2.350 0.870
188 HA THR 29 HA THR 29 4.255 -0.059 2.151
189 HB THR 29 HB THR 29 5.652 -2.726 1.857
190 HG1 THR 29 HG1 THR 29 4.063 -1.906 4.054
191 HG21 THR 29 3HG2 THR 29 6.864 -0.587 2.759
192 HG22 THR 29 1HG2 THR 29 7.031 -2.123 3.609
193 HG23 THR 29 2HG2 THR 29 5.910 -0.900 4.209
194 H ARG 30 H ARG 30 5.316 -1.766 -0.727
195 HA ARG 30 HA ARG 30 7.775 -0.289 -0.958
196 HB2 ARG 30 1HB ARG 30 8.148 -1.510 -2.959
197 HB3 ARG 30 2HB ARG 30 7.394 -2.631 -1.833
198 HG2 ARG 30 1HG ARG 30 5.462 -2.762 -3.034
199 HG3 ARG 30 2HG ARG 30 5.636 -1.136 -3.698
200 HD2 ARG 30 1HD ARG 30 7.268 -3.548 -4.482
201 HD3 ARG 30 2HD ARG 30 5.942 -2.855 -5.415
202 HE ARG 30 HE ARG 30 8.065 -1.001 -4.823
203 HH11 ARG 30 1HH1 ARG 30 6.886 -3.419 -7.034
204 HH12 ARG 30 2HH1 ARG 30 7.798 -2.820 -8.379
205 HH21 ARG 30 1HH2 ARG 30 9.271 -0.204 -6.588
206 HH22 ARG 30 2HH2 ARG 30 9.155 -0.992 -8.124
207 H HIS 31 H HIS 31 4.631 0.562 -1.396
208 HA HIS 31 HA HIS 31 5.119 2.275 -3.718
209 HB2 HIS 31 1HB HIS 31 3.046 1.274 -4.001
210 HB3 HIS 31 2HB HIS 31 2.665 1.337 -2.283
211 HD1 HIS 31 HD1 HIS 31 3.001 3.709 -5.231
212 HD2 HIS 31 HD2 HIS 31 1.031 3.391 -1.587
213 HE1 HIS 31 HE1 HIS 31 1.442 5.680 -5.135
214 H GLN 32 H GLN 32 4.502 2.413 -0.273
215 HA GLN 32 HA GLN 32 3.967 5.162 -0.049
216 HB2 GLN 32 1HB GLN 32 5.271 3.320 1.962
217 HB3 GLN 32 2HB GLN 32 4.582 4.897 2.319
218 HG2 GLN 32 1HG GLN 32 2.853 2.857 1.025
219 HG3 GLN 32 2HG GLN 32 3.239 2.679 2.736
220 HE21 GLN 32 1HE2 GLN 32 0.771 2.929 2.601
221 HE22 GLN 32 2HE2 GLN 32 0.172 4.533 2.827
222 H LYS 33 H LYS 33 6.749 3.635 -1.061
223 HA LYS 33 HA LYS 33 8.792 5.161 0.112
224 HB2 LYS 33 1HB LYS 33 8.682 3.859 -2.614
225 HB3 LYS 33 2HB LYS 33 10.142 4.485 -1.861
226 HG2 LYS 33 1HG LYS 33 9.538 2.877 0.076
227 HG3 LYS 33 2HG LYS 33 8.518 2.088 -1.130
228 HD2 LYS 33 1HD LYS 33 10.393 1.649 -2.538
229 HD3 LYS 33 2HD LYS 33 11.446 2.665 -1.550
230 HE2 LYS 33 1HE LYS 33 10.063 0.273 -0.385
231 HE3 LYS 33 2HE LYS 33 11.575 0.102 -1.276
232 HZ1 LYS 33 3HZ LYS 33 11.559 0.480 1.300
233 HZ2 LYS 33 1HZ LYS 33 11.440 2.108 0.854
234 HZ3 LYS 33 2HZ LYS 33 12.753 1.181 0.328
235 H ILE 34 H ILE 34 6.704 5.769 -2.646
236 HA ILE 34 HA ILE 34 8.134 8.110 -3.500
237 HB ILE 34 HB ILE 34 6.344 8.450 -5.079
238 HG12 ILE 34 1HG1 ILE 34 4.808 6.099 -4.069
239 HG13 ILE 34 2HG1 ILE 34 4.622 7.635 -3.230
240 HG21 ILE 34 1HG2 ILE 34 7.389 6.883 -6.256
241 HG22 ILE 34 2HG2 ILE 34 7.762 5.965 -4.798
242 HG23 ILE 34 3HG2 ILE 34 6.227 5.713 -5.630
243 HD11 ILE 34 3HD1 ILE 34 3.443 6.750 -5.676
244 HD12 ILE 34 1HD1 ILE 34 3.121 8.211 -4.742
245 HD13 ILE 34 2HD1 ILE 34 4.394 8.207 -5.963
246 H HIS 35 H HIS 35 5.610 7.411 -1.244
247 HA HIS 35 HA HIS 35 4.479 10.020 -1.114
248 HB2 HIS 35 1HB HIS 35 4.330 7.547 0.554
249 HB3 HIS 35 2HB HIS 35 3.773 9.066 1.251
250 HD1 HIS 35 HD1 HIS 35 2.266 10.341 -1.004
251 HD2 HIS 35 HD2 HIS 35 2.080 6.266 -0.214
252 HE1 HIS 35 HE1 HIS 35 0.109 9.555 -2.030
253 H THR 36 H THR 36 6.629 8.278 1.139
254 HA THR 36 HA THR 36 7.157 10.482 2.796
255 HB THR 36 HB THR 36 7.633 8.255 3.588
256 HG1 THR 36 HG1 THR 36 9.727 8.646 4.397
257 HG21 THR 36 3HG2 THR 36 8.266 6.917 1.831
258 HG22 THR 36 1HG2 THR 36 9.837 7.216 2.574
259 HG23 THR 36 2HG2 THR 36 9.345 8.134 1.151
260 H ARG 37 H ARG 37 8.743 12.019 2.818
261 HA ARG 37 HA ARG 37 10.574 12.088 0.513
262 HB2 ARG 37 1HB ARG 37 10.279 14.509 0.375
263 HB3 ARG 37 2HB ARG 37 8.742 13.681 0.162
264 HG2 ARG 37 1HG ARG 37 8.578 14.099 2.772
265 HG3 ARG 37 2HG ARG 37 9.671 15.425 2.368
266 HD2 ARG 37 1HD ARG 37 7.652 16.465 2.089
267 HD3 ARG 37 2HD ARG 37 7.915 15.852 0.458
268 HE ARG 37 HE ARG 37 6.487 13.980 2.051
269 HH11 ARG 37 1HH1 ARG 37 6.134 16.944 0.259
270 HH12 ARG 37 2HH1 ARG 37 4.450 16.699 -0.067
271 HH21 ARG 37 1HH2 ARG 37 4.271 13.646 1.629
272 HH22 ARG 37 2HH2 ARG 37 3.391 14.823 0.713
273 H LYS 38 H LYS 38 12.164 14.119 1.021
274 HA LYS 38 HA LYS 38 13.166 13.719 3.762
275 HB2 LYS 38 1HB LYS 38 15.481 14.063 2.666
276 HB3 LYS 38 2HB LYS 38 14.703 12.494 2.506
277 HG2 LYS 38 1HG LYS 38 14.240 14.512 0.377
278 HG3 LYS 38 2HG LYS 38 15.810 13.709 0.450
279 HD2 LYS 38 1HD LYS 38 14.847 11.578 0.150
280 HD3 LYS 38 2HD LYS 38 13.222 12.177 0.494
281 HE2 LYS 38 1HE LYS 38 13.665 13.688 -1.596
282 HE3 LYS 38 2HE LYS 38 14.875 12.464 -1.978
283 HZ1 LYS 38 3HZ LYS 38 12.865 11.851 -3.046
284 HZ2 LYS 38 1HZ LYS 38 11.957 12.061 -1.634
285 HZ3 LYS 38 2HZ LYS 38 13.065 10.788 -1.745
286 H SER 39 H SER 39 14.503 15.471 4.584
287 HA SER 39 HA SER 39 13.909 18.056 3.300
288 HB2 SER 39 1HB SER 39 13.780 17.302 6.220
289 HB3 SER 39 2HB SER 39 13.876 18.979 5.681
290 HG SER 39 HG SER 39 11.869 17.109 4.945
291 H GLY 40 H GLY 40 15.502 19.628 3.357
292 HA2 GLY 40 1HA GLY 40 17.856 19.516 4.889
293 HA3 GLY 40 2HA GLY 40 18.169 18.755 3.336
294 HA PRO 41 HA PRO 41 18.954 22.661 1.519
295 HB2 PRO 41 1HB PRO 41 17.975 22.329 -0.991
296 HB3 PRO 41 2HB PRO 41 19.454 21.543 -0.425
297 HG2 PRO 41 1HG PRO 41 16.685 20.429 -0.651
298 HG3 PRO 41 2HG PRO 41 18.232 19.678 -1.085
299 HD2 PRO 41 1HD PRO 41 16.932 19.108 1.221
300 HD3 PRO 41 2HD PRO 41 18.703 19.093 1.094
301 H SER 42 H SER 42 18.030 24.634 1.397
302 HA SER 42 HA SER 42 15.317 24.978 2.100
303 HB2 SER 42 1HB SER 42 16.923 26.666 2.717
304 HB3 SER 42 2HB SER 42 17.362 26.935 1.031
305 HG SER 42 HG SER 42 15.799 28.319 0.946
306 H SER 43 H SER 43 16.989 25.889 -0.919
307 HA SER 43 HA SER 43 15.027 26.766 -2.494
308 HB2 SER 43 1HB SER 43 17.025 24.650 -3.333
309 HB3 SER 43 2HB SER 43 16.128 25.702 -4.429
310 HG SER 43 HG SER 43 17.146 27.471 -3.168
311 H GLY 44 H GLY 44 15.707 23.265 -2.264
312 HA2 GLY 44 1HA GLY 44 14.314 21.447 -2.426
313 HA3 GLY 44 2HA GLY 44 13.003 22.520 -1.961
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -25.006 -27.595 13.645
2 HA2 GLY 1 1HA GLY 1 -27.241 -25.813 14.370
3 HA3 GLY 1 2HA GLY 1 -25.773 -26.022 15.314
4 H SER 2 H SER 2 -27.276 -23.759 13.723
5 HA SER 2 HA SER 2 -25.270 -22.815 11.904
6 HB2 SER 2 1HB SER 2 -26.679 -20.804 11.737
7 HB3 SER 2 2HB SER 2 -27.644 -22.270 11.572
8 HG SER 2 HG SER 2 -28.682 -21.769 13.331
9 H SER 3 H SER 3 -23.374 -22.700 13.143
10 HA SER 3 HA SER 3 -23.216 -21.184 15.556
11 HB2 SER 3 1HB SER 3 -20.732 -21.423 15.210
12 HB3 SER 3 2HB SER 3 -21.618 -22.947 15.218
13 HG SER 3 HG SER 3 -20.951 -23.282 13.264
14 H GLY 4 H GLY 4 -22.231 -20.571 12.194
15 HA2 GLY 4 1HA GLY 4 -22.869 -17.849 12.234
16 HA3 GLY 4 2HA GLY 4 -21.167 -17.998 12.645
17 H SER 5 H SER 5 -19.693 -18.456 11.070
18 HA SER 5 HA SER 5 -18.906 -18.210 8.920
19 HB2 SER 5 1HB SER 5 -19.293 -20.178 7.594
20 HB3 SER 5 2HB SER 5 -19.269 -20.675 9.286
21 HG SER 5 HG SER 5 -21.725 -20.193 8.944
22 H SER 6 H SER 6 -20.936 -16.370 9.340
23 HA SER 6 HA SER 6 -22.586 -16.489 6.917
24 HB2 SER 6 1HB SER 6 -22.773 -14.804 9.417
25 HB3 SER 6 2HB SER 6 -23.762 -14.508 7.988
26 HG SER 6 HG SER 6 -25.035 -15.961 8.799
27 H GLY 7 H GLY 7 -20.593 -14.136 8.716
28 HA2 GLY 7 1HA GLY 7 -20.417 -12.392 6.424
29 HA3 GLY 7 2HA GLY 7 -19.620 -12.166 7.974
30 H THR 8 H THR 8 -19.029 -12.589 4.810
31 HA THR 8 HA THR 8 -17.063 -14.555 4.628
32 HB THR 8 HB THR 8 -18.020 -13.425 2.661
33 HG1 THR 8 HG1 THR 8 -15.227 -12.946 2.651
34 HG21 THR 8 3HG2 THR 8 -16.920 -11.200 2.036
35 HG22 THR 8 1HG2 THR 8 -16.481 -11.077 3.739
36 HG23 THR 8 2HG2 THR 8 -18.179 -11.159 3.270
37 H ASP 9 H ASP 9 -14.872 -14.595 4.941
38 HA ASP 9 HA ASP 9 -13.785 -12.410 6.573
39 HB2 ASP 9 1HB ASP 9 -13.251 -15.341 6.402
40 HB3 ASP 9 2HB ASP 9 -11.932 -14.283 6.895
41 H SER 10 H SER 10 -12.911 -10.936 5.229
42 HA SER 10 HA SER 10 -10.617 -11.761 3.647
43 HB2 SER 10 1HB SER 10 -13.123 -10.601 2.477
44 HB3 SER 10 2HB SER 10 -11.564 -10.223 1.746
45 HG SER 10 HG SER 10 -12.346 -12.881 2.295
46 H LYS 11 H LYS 11 -9.357 -9.889 2.866
47 HA LYS 11 HA LYS 11 -9.858 -7.424 4.380
48 HB2 LYS 11 1HB LYS 11 -7.600 -7.296 5.155
49 HB3 LYS 11 2HB LYS 11 -8.216 -8.885 5.593
50 HG2 LYS 11 1HG LYS 11 -6.740 -8.595 3.029
51 HG3 LYS 11 2HG LYS 11 -5.829 -8.581 4.541
52 HD2 LYS 11 1HD LYS 11 -6.491 -10.750 5.098
53 HD3 LYS 11 2HD LYS 11 -7.853 -10.721 3.974
54 HE2 LYS 11 1HE LYS 11 -6.062 -10.513 2.140
55 HE3 LYS 11 2HE LYS 11 -4.927 -11.034 3.384
56 HZ1 LYS 11 3HZ LYS 11 -7.371 -12.599 2.921
57 HZ2 LYS 11 1HZ LYS 11 -5.864 -13.107 3.500
58 HZ3 LYS 11 2HZ LYS 11 -6.068 -12.770 1.855
59 H SER 12 H SER 12 -8.604 -5.572 3.576
60 HA SER 12 HA SER 12 -7.494 -5.822 0.901
61 HB2 SER 12 1HB SER 12 -8.977 -4.170 -0.091
62 HB3 SER 12 2HB SER 12 -9.936 -5.505 0.548
63 HG SER 12 HG SER 12 -9.562 -2.929 1.660
64 H TYR 13 H TYR 13 -5.870 -4.423 0.576
65 HA TYR 13 HA TYR 13 -5.438 -2.359 2.624
66 HB2 TYR 13 1HB TYR 13 -3.410 -3.538 0.717
67 HB3 TYR 13 2HB TYR 13 -3.084 -2.486 2.090
68 HD1 TYR 13 HD1 TYR 13 -4.253 -5.865 1.131
69 HD2 TYR 13 HD2 TYR 13 -2.833 -3.370 4.271
70 HE1 TYR 13 HE1 TYR 13 -3.984 -7.841 2.571
71 HE2 TYR 13 HE2 TYR 13 -2.559 -5.339 5.720
72 HH TYR 13 HH TYR 13 -2.395 -7.654 5.669
73 H ASN 14 H ASN 14 -5.244 -0.251 2.093
74 HA ASN 14 HA ASN 14 -5.002 0.510 -0.717
75 HB2 ASN 14 1HB ASN 14 -7.166 1.683 1.034
76 HB3 ASN 14 2HB ASN 14 -6.917 1.949 -0.689
77 HD21 ASN 14 1HD2 ASN 14 -9.116 0.766 1.082
78 HD22 ASN 14 2HD2 ASN 14 -9.542 -0.696 0.267
79 H CYS 15 H CYS 15 -3.678 2.194 -0.984
80 HA CYS 15 HA CYS 15 -2.355 3.357 1.246
81 HB2 CYS 15 1HB CYS 15 -1.378 2.971 -1.064
82 HB3 CYS 15 2HB CYS 15 -2.297 4.376 -1.595
83 H ASN 16 H ASN 16 -4.473 4.075 2.236
84 HA ASN 16 HA ASN 16 -6.209 5.949 1.442
85 HB2 ASN 16 1HB ASN 16 -4.751 5.974 4.095
86 HB3 ASN 16 2HB ASN 16 -6.257 6.825 3.761
87 HD21 ASN 16 1HD2 ASN 16 -7.377 5.696 5.331
88 HD22 ASN 16 2HD2 ASN 16 -7.818 4.036 5.141
89 H GLU 17 H GLU 17 -2.818 6.507 2.099
90 HA GLU 17 HA GLU 17 -2.706 9.251 2.307
91 HB2 GLU 17 1HB GLU 17 -0.666 8.190 2.616
92 HB3 GLU 17 2HB GLU 17 -0.839 7.210 1.166
93 HG2 GLU 17 1HG GLU 17 -0.039 8.838 -0.205
94 HG3 GLU 17 2HG GLU 17 -0.610 10.146 0.829
95 H CYS 18 H CYS 18 -2.629 7.320 -0.682
96 HA CYS 18 HA CYS 18 -3.311 9.766 -2.176
97 HB2 CYS 18 1HB CYS 18 -2.309 8.671 -4.150
98 HB3 CYS 18 2HB CYS 18 -1.147 8.865 -2.841
99 H GLY 19 H GLY 19 -3.885 6.267 -1.981
100 HA2 GLY 19 1HA GLY 19 -6.253 5.578 -1.981
101 HA3 GLY 19 2HA GLY 19 -6.499 6.740 -3.277
102 H LYS 20 H LYS 20 -4.483 3.900 -2.520
103 HA LYS 20 HA LYS 20 -5.086 2.869 -5.201
104 HB2 LYS 20 1HB LYS 20 -2.739 4.001 -4.885
105 HB3 LYS 20 2HB LYS 20 -2.340 2.499 -4.063
106 HG2 LYS 20 1HG LYS 20 -2.546 1.236 -5.987
107 HG3 LYS 20 2HG LYS 20 -3.567 2.434 -6.786
108 HD2 LYS 20 1HD LYS 20 -1.673 3.925 -7.038
109 HD3 LYS 20 2HD LYS 20 -0.641 2.806 -6.144
110 HE2 LYS 20 1HE LYS 20 -0.229 2.554 -8.504
111 HE3 LYS 20 2HE LYS 20 -1.034 1.108 -7.899
112 HZ1 LYS 20 3HZ LYS 20 -3.120 1.933 -8.780
113 HZ2 LYS 20 1HZ LYS 20 -1.962 1.840 -10.011
114 HZ3 LYS 20 2HZ LYS 20 -2.364 3.339 -9.339
115 H ALA 21 H ALA 21 -6.124 1.016 -4.904
116 HA ALA 21 HA ALA 21 -5.796 -0.533 -2.494
117 HB1 ALA 21 3HB ALA 21 -7.342 -1.569 -4.812
118 HB2 ALA 21 1HB ALA 21 -7.706 -1.635 -3.088
119 HB3 ALA 21 2HB ALA 21 -7.936 -0.131 -3.982
120 H PHE 22 H PHE 22 -4.606 -2.322 -2.217
121 HA PHE 22 HA PHE 22 -3.338 -3.516 -4.594
122 HB2 PHE 22 1HB PHE 22 -2.132 -3.036 -1.864
123 HB3 PHE 22 2HB PHE 22 -1.375 -4.012 -3.118
124 HD1 PHE 22 HD2 PHE 22 -0.531 -2.965 -5.166
125 HD2 PHE 22 HD1 PHE 22 -2.136 -0.653 -1.972
126 HE1 PHE 22 HE2 PHE 22 0.506 -0.945 -6.111
127 HE2 PHE 22 HE1 PHE 22 -1.102 1.371 -2.914
128 HZ PHE 22 HZ PHE 22 0.222 1.227 -4.985
129 H THR 23 H THR 23 -2.668 -5.778 -4.311
130 HA THR 23 HA THR 23 -4.776 -7.293 -3.063
131 HB THR 23 HB THR 23 -3.968 -8.019 -5.230
132 HG1 THR 23 HG1 THR 23 -3.422 -10.232 -4.606
133 HG21 THR 23 3HG2 THR 23 -1.809 -8.113 -5.797
134 HG22 THR 23 1HG2 THR 23 -1.419 -9.121 -4.404
135 HG23 THR 23 2HG2 THR 23 -1.451 -7.365 -4.240
136 H ARG 24 H ARG 24 -1.373 -6.658 -2.477
137 HA ARG 24 HA ARG 24 -1.622 -8.069 0.093
138 HB2 ARG 24 1HB ARG 24 0.733 -8.105 -1.800
139 HB3 ARG 24 2HB ARG 24 0.803 -8.676 -0.138
140 HG2 ARG 24 1HG ARG 24 -1.032 -9.781 -2.254
141 HG3 ARG 24 2HG ARG 24 0.517 -10.487 -1.788
142 HD2 ARG 24 1HD ARG 24 -0.368 -10.639 0.555
143 HD3 ARG 24 2HD ARG 24 -1.941 -10.158 -0.078
144 HE ARG 24 HE ARG 24 -0.654 -12.727 -0.370
145 HH11 ARG 24 1HH1 ARG 24 -3.106 -10.559 -1.556
146 HH12 ARG 24 2HH1 ARG 24 -4.048 -11.816 -2.288
147 HH21 ARG 24 1HH2 ARG 24 -1.886 -14.391 -1.329
148 HH22 ARG 24 2HH2 ARG 24 -3.354 -13.995 -2.157
149 H ILE 25 H ILE 25 -0.137 -7.298 1.759
150 HA ILE 25 HA ILE 25 -0.088 -4.453 1.867
151 HB ILE 25 HB ILE 25 -0.417 -5.773 3.890
152 HG12 ILE 25 1HG1 ILE 25 1.516 -4.704 5.263
153 HG13 ILE 25 2HG1 ILE 25 1.992 -3.984 3.729
154 HG21 ILE 25 1HG2 ILE 25 1.405 -7.483 2.965
155 HG22 ILE 25 2HG2 ILE 25 2.434 -6.554 4.054
156 HG23 ILE 25 3HG2 ILE 25 0.997 -7.365 4.676
157 HD11 ILE 25 3HD1 ILE 25 -0.465 -3.512 5.355
158 HD12 ILE 25 1HD1 ILE 25 0.683 -2.348 4.695
159 HD13 ILE 25 2HD1 ILE 25 -0.453 -3.170 3.626
160 H PHE 26 H PHE 26 2.334 -6.938 1.281
161 HA PHE 26 HA PHE 26 4.687 -5.583 1.558
162 HB2 PHE 26 1HB PHE 26 4.313 -7.234 -0.909
163 HB3 PHE 26 2HB PHE 26 5.669 -7.195 0.214
164 HD1 PHE 26 HD1 PHE 26 5.034 -7.988 2.673
165 HD2 PHE 26 HD2 PHE 26 2.955 -9.077 -0.878
166 HE1 PHE 26 HE1 PHE 26 4.154 -9.987 3.806
167 HE2 PHE 26 HE2 PHE 26 2.071 -11.077 0.249
168 HZ PHE 26 HZ PHE 26 2.670 -11.534 2.594
169 H HIS 27 H HIS 27 2.941 -5.803 -1.548
170 HA HIS 27 HA HIS 27 4.416 -3.980 -2.982
171 HB2 HIS 27 1HB HIS 27 1.590 -4.915 -3.118
172 HB3 HIS 27 2HB HIS 27 2.034 -3.509 -4.081
173 HD2 HIS 27 HD2 HIS 27 3.717 -4.033 -6.256
174 HE1 HIS 27 HE1 HIS 27 3.652 -8.252 -5.822
175 HE2 HIS 27 HE2 HIS 27 4.392 -6.320 -7.258
176 H LEU 28 H LEU 28 1.544 -3.313 -0.991
177 HA LEU 28 HA LEU 28 1.350 -0.582 -1.443
178 HB2 LEU 28 1HB LEU 28 -0.415 -1.644 -0.307
179 HB3 LEU 28 2HB LEU 28 0.662 -2.283 0.933
180 HG LEU 28 HG LEU 28 0.938 -0.048 1.865
181 HD11 LEU 28 1HD1 LEU 28 -1.194 1.295 0.498
182 HD12 LEU 28 2HD1 LEU 28 0.043 0.793 -0.655
183 HD13 LEU 28 3HD1 LEU 28 0.482 1.797 0.726
184 HD21 LEU 28 3HD2 LEU 28 -0.845 -1.370 2.770
185 HD22 LEU 28 1HD2 LEU 28 -1.920 -0.909 1.450
186 HD23 LEU 28 2HD2 LEU 28 -1.405 0.298 2.629
187 H THR 29 H THR 29 3.312 -2.337 0.918
188 HA THR 29 HA THR 29 4.299 -0.099 2.307
189 HB THR 29 HB THR 29 5.550 -2.822 1.901
190 HG1 THR 29 HG1 THR 29 3.750 -1.707 3.754
191 HG21 THR 29 3HG2 THR 29 7.087 -2.332 3.617
192 HG22 THR 29 1HG2 THR 29 6.232 -0.861 4.078
193 HG23 THR 29 2HG2 THR 29 7.126 -0.922 2.559
194 H ARG 30 H ARG 30 5.491 -1.817 -0.546
195 HA ARG 30 HA ARG 30 7.905 -0.320 -0.762
196 HB2 ARG 30 1HB ARG 30 6.466 -1.830 -2.948
197 HB3 ARG 30 2HB ARG 30 8.166 -1.381 -2.915
198 HG2 ARG 30 1HG ARG 30 8.556 -2.884 -1.054
199 HG3 ARG 30 2HG ARG 30 6.841 -3.296 -1.006
200 HD2 ARG 30 1HD ARG 30 7.947 -5.050 -2.166
201 HD3 ARG 30 2HD ARG 30 7.071 -4.106 -3.370
202 HE ARG 30 HE ARG 30 9.837 -3.352 -2.993
203 HH11 ARG 30 1HH1 ARG 30 7.569 -5.310 -4.766
204 HH12 ARG 30 2HH1 ARG 30 8.614 -5.514 -6.133
205 HH21 ARG 30 1HH2 ARG 30 11.221 -3.612 -4.786
206 HH22 ARG 30 2HH2 ARG 30 10.692 -4.548 -6.143
207 H HIS 31 H HIS 31 4.666 0.007 -2.093
208 HA HIS 31 HA HIS 31 5.255 2.025 -3.981
209 HB2 HIS 31 1HB HIS 31 3.200 1.064 -4.388
210 HB3 HIS 31 2HB HIS 31 2.776 0.990 -2.680
211 HD1 HIS 31 HD1 HIS 31 2.632 3.222 -5.662
212 HD2 HIS 31 HD2 HIS 31 1.580 3.314 -1.643
213 HE1 HIS 31 HE1 HIS 31 1.153 5.239 -5.400
214 H GLN 32 H GLN 32 3.824 2.247 -0.722
215 HA GLN 32 HA GLN 32 3.445 4.888 -0.402
216 HB2 GLN 32 1HB GLN 32 4.629 2.892 1.509
217 HB3 GLN 32 2HB GLN 32 4.347 4.559 1.995
218 HG2 GLN 32 1HG GLN 32 2.048 4.352 1.849
219 HG3 GLN 32 2HG GLN 32 2.142 2.950 0.783
220 HE21 GLN 32 1HE2 GLN 32 0.478 2.407 2.562
221 HE22 GLN 32 2HE2 GLN 32 1.098 1.507 3.900
222 H LYS 33 H LYS 33 6.511 3.333 -0.820
223 HA LYS 33 HA LYS 33 8.307 5.130 0.223
224 HB2 LYS 33 1HB LYS 33 8.428 3.500 -2.310
225 HB3 LYS 33 2HB LYS 33 9.791 4.454 -1.740
226 HG2 LYS 33 1HG LYS 33 9.424 3.132 0.478
227 HG3 LYS 33 2HG LYS 33 8.578 1.994 -0.573
228 HD2 LYS 33 1HD LYS 33 10.562 1.780 -1.967
229 HD3 LYS 33 2HD LYS 33 11.408 2.967 -0.971
230 HE2 LYS 33 1HE LYS 33 12.187 0.959 -0.124
231 HE3 LYS 33 2HE LYS 33 10.867 1.348 0.978
232 HZ1 LYS 33 3HZ LYS 33 11.108 -1.014 -0.146
233 HZ2 LYS 33 1HZ LYS 33 10.217 -0.259 -1.370
234 HZ3 LYS 33 2HZ LYS 33 9.596 -0.340 0.201
235 H ILE 34 H ILE 34 6.748 5.270 -2.968
236 HA ILE 34 HA ILE 34 7.971 7.497 -4.018
237 HB ILE 34 HB ILE 34 6.008 7.854 -5.377
238 HG12 ILE 34 1HG1 ILE 34 4.444 5.781 -3.903
239 HG13 ILE 34 2HG1 ILE 34 4.501 7.411 -3.240
240 HG21 ILE 34 1HG2 ILE 34 7.142 5.208 -4.934
241 HG22 ILE 34 2HG2 ILE 34 5.558 5.166 -5.706
242 HG23 ILE 34 3HG2 ILE 34 6.871 6.088 -6.438
243 HD11 ILE 34 3HD1 ILE 34 2.606 7.480 -4.530
244 HD12 ILE 34 1HD1 ILE 34 3.817 8.121 -5.641
245 HD13 ILE 34 2HD1 ILE 34 3.290 6.444 -5.783
246 H HIS 35 H HIS 35 5.733 7.318 -1.389
247 HA HIS 35 HA HIS 35 5.097 10.143 -1.445
248 HB2 HIS 35 1HB HIS 35 4.449 7.980 0.568
249 HB3 HIS 35 2HB HIS 35 3.871 9.641 0.668
250 HD1 HIS 35 HD1 HIS 35 2.959 10.128 -2.190
251 HD2 HIS 35 HD2 HIS 35 2.221 6.600 -0.124
252 HE1 HIS 35 HE1 HIS 35 0.959 9.097 -3.313
253 H THR 36 H THR 36 6.950 7.929 0.623
254 HA THR 36 HA THR 36 7.979 10.139 2.198
255 HB THR 36 HB THR 36 7.425 7.998 3.299
256 HG1 THR 36 HG1 THR 36 10.223 8.527 3.390
257 HG21 THR 36 3HG2 THR 36 7.994 6.087 2.302
258 HG22 THR 36 1HG2 THR 36 9.672 6.424 2.727
259 HG23 THR 36 2HG2 THR 36 9.038 6.935 1.162
260 H ARG 37 H ARG 37 8.684 10.387 -0.475
261 HA ARG 37 HA ARG 37 11.580 10.313 -0.252
262 HB2 ARG 37 1HB ARG 37 10.680 8.175 -1.417
263 HB3 ARG 37 2HB ARG 37 10.352 9.243 -2.774
264 HG2 ARG 37 1HG ARG 37 12.427 8.526 -3.352
265 HG3 ARG 37 2HG ARG 37 12.870 9.933 -2.384
266 HD2 ARG 37 1HD ARG 37 12.550 7.308 -1.018
267 HD3 ARG 37 2HD ARG 37 13.994 7.578 -1.992
268 HE ARG 37 HE ARG 37 13.433 9.689 -0.118
269 HH11 ARG 37 1HH1 ARG 37 14.995 6.616 -0.603
270 HH12 ARG 37 2HH1 ARG 37 16.132 6.843 0.684
271 HH21 ARG 37 1HH2 ARG 37 14.924 10.000 1.579
272 HH22 ARG 37 2HH2 ARG 37 16.090 8.768 1.926
273 H LYS 38 H LYS 38 12.506 12.067 -1.140
274 HA LYS 38 HA LYS 38 10.767 14.038 -2.373
275 HB2 LYS 38 1HB LYS 38 13.536 14.067 -1.233
276 HB3 LYS 38 2HB LYS 38 13.032 15.360 -2.314
277 HG2 LYS 38 1HG LYS 38 12.578 16.203 -0.204
278 HG3 LYS 38 2HG LYS 38 11.010 15.604 -0.751
279 HD2 LYS 38 1HD LYS 38 11.058 14.705 1.351
280 HD3 LYS 38 2HD LYS 38 11.828 13.398 0.450
281 HE2 LYS 38 1HE LYS 38 14.038 14.421 1.027
282 HE3 LYS 38 2HE LYS 38 13.178 15.546 2.077
283 HZ1 LYS 38 3HZ LYS 38 14.158 13.361 3.038
284 HZ2 LYS 38 1HZ LYS 38 12.754 12.657 2.409
285 HZ3 LYS 38 2HZ LYS 38 12.639 13.896 3.555
286 H SER 39 H SER 39 10.689 12.278 -4.203
287 HA SER 39 HA SER 39 12.862 12.785 -6.120
288 HB2 SER 39 1HB SER 39 12.273 10.393 -5.464
289 HB3 SER 39 2HB SER 39 10.761 10.627 -6.341
290 HG SER 39 HG SER 39 12.990 9.845 -7.368
291 H GLY 40 H GLY 40 11.654 14.944 -6.278
292 HA2 GLY 40 1HA GLY 40 10.343 16.374 -7.506
293 HA3 GLY 40 2HA GLY 40 10.443 15.155 -8.768
294 HA PRO 41 HA PRO 41 5.991 15.585 -7.631
295 HB2 PRO 41 1HB PRO 41 5.098 15.476 -10.192
296 HB3 PRO 41 2HB PRO 41 5.627 16.977 -9.422
297 HG2 PRO 41 1HG PRO 41 7.121 15.178 -11.291
298 HG3 PRO 41 2HG PRO 41 7.040 16.949 -11.269
299 HD2 PRO 41 1HD PRO 41 9.140 15.575 -10.254
300 HD3 PRO 41 2HD PRO 41 8.598 17.126 -9.581
301 H SER 42 H SER 42 8.009 13.219 -8.734
302 HA SER 42 HA SER 42 7.823 10.941 -8.727
303 HB2 SER 42 1HB SER 42 4.857 11.174 -8.254
304 HB3 SER 42 2HB SER 42 5.950 9.876 -7.774
305 HG SER 42 HG SER 42 5.253 12.074 -6.410
306 H SER 43 H SER 43 7.926 12.158 -11.104
307 HA SER 43 HA SER 43 6.706 10.292 -12.850
308 HB2 SER 43 1HB SER 43 4.754 11.811 -12.308
309 HB3 SER 43 2HB SER 43 5.633 13.105 -13.123
310 HG SER 43 HG SER 43 4.716 12.331 -14.847
311 H GLY 44 H GLY 44 7.217 10.744 -15.142
312 HA2 GLY 44 1HA GLY 44 8.975 12.877 -15.838
313 HA3 GLY 44 2HA GLY 44 9.872 11.396 -15.537
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -33.732 0.614 6.564
2 HA2 GLY 1 1HA GLY 1 -31.195 1.180 7.819
3 HA3 GLY 1 2HA GLY 1 -32.163 -0.004 8.685
4 H SER 2 H SER 2 -29.671 0.208 6.672
5 HA SER 2 HA SER 2 -30.419 -1.981 4.895
6 HB2 SER 2 1HB SER 2 -28.263 -1.574 3.805
7 HB3 SER 2 2HB SER 2 -29.169 -0.069 3.959
8 HG SER 2 HG SER 2 -26.921 0.076 4.573
9 H SER 3 H SER 3 -29.925 -4.036 5.279
10 HA SER 3 HA SER 3 -27.637 -4.710 6.956
11 HB2 SER 3 1HB SER 3 -30.450 -5.651 7.565
12 HB3 SER 3 2HB SER 3 -28.989 -6.253 8.347
13 HG SER 3 HG SER 3 -30.416 -4.202 9.081
14 H GLY 4 H GLY 4 -26.520 -5.939 5.575
15 HA2 GLY 4 1HA GLY 4 -27.395 -8.510 4.843
16 HA3 GLY 4 2HA GLY 4 -27.598 -7.439 3.464
17 H SER 5 H SER 5 -25.780 -6.582 2.433
18 HA SER 5 HA SER 5 -23.425 -8.227 2.658
19 HB2 SER 5 1HB SER 5 -22.624 -6.943 0.705
20 HB3 SER 5 2HB SER 5 -24.251 -7.572 0.447
21 HG SER 5 HG SER 5 -25.024 -5.472 1.076
22 H SER 6 H SER 6 -22.489 -7.728 4.631
23 HA SER 6 HA SER 6 -21.732 -4.963 5.166
24 HB2 SER 6 1HB SER 6 -22.669 -6.564 6.935
25 HB3 SER 6 2HB SER 6 -21.091 -7.350 6.895
26 HG SER 6 HG SER 6 -20.676 -5.868 8.352
27 H GLY 7 H GLY 7 -20.188 -4.691 3.496
28 HA2 GLY 7 1HA GLY 7 -18.153 -5.012 2.409
29 HA3 GLY 7 2HA GLY 7 -17.580 -4.762 4.051
30 H THR 8 H THR 8 -18.572 -7.235 1.732
31 HA THR 8 HA THR 8 -17.499 -9.381 3.331
32 HB THR 8 HB THR 8 -18.357 -9.483 0.435
33 HG1 THR 8 HG1 THR 8 -19.897 -10.033 2.771
34 HG21 THR 8 3HG2 THR 8 -17.130 -11.437 0.975
35 HG22 THR 8 1HG2 THR 8 -18.831 -11.888 1.084
36 HG23 THR 8 2HG2 THR 8 -17.905 -11.576 2.553
37 H ASP 9 H ASP 9 -15.318 -9.074 3.602
38 HA ASP 9 HA ASP 9 -13.656 -9.752 1.342
39 HB2 ASP 9 1HB ASP 9 -12.117 -7.765 1.813
40 HB3 ASP 9 2HB ASP 9 -13.611 -7.425 0.943
41 H SER 10 H SER 10 -11.742 -10.703 1.937
42 HA SER 10 HA SER 10 -11.538 -11.477 4.718
43 HB2 SER 10 1HB SER 10 -9.772 -13.000 3.940
44 HB3 SER 10 2HB SER 10 -11.221 -13.156 2.947
45 HG SER 10 HG SER 10 -9.990 -11.433 1.632
46 H LYS 11 H LYS 11 -9.644 -9.646 2.364
47 HA LYS 11 HA LYS 11 -8.477 -8.007 4.359
48 HB2 LYS 11 1HB LYS 11 -6.195 -8.712 4.287
49 HB3 LYS 11 2HB LYS 11 -7.165 -10.129 4.666
50 HG2 LYS 11 1HG LYS 11 -7.016 -10.856 2.339
51 HG3 LYS 11 2HG LYS 11 -6.042 -9.434 1.959
52 HD2 LYS 11 1HD LYS 11 -4.262 -10.182 3.352
53 HD3 LYS 11 2HD LYS 11 -5.258 -11.466 4.040
54 HE2 LYS 11 1HE LYS 11 -4.631 -11.338 1.106
55 HE3 LYS 11 2HE LYS 11 -3.547 -12.119 2.256
56 HZ1 LYS 11 3HZ LYS 11 -6.035 -13.048 1.174
57 HZ2 LYS 11 1HZ LYS 11 -5.977 -13.166 2.860
58 HZ3 LYS 11 2HZ LYS 11 -4.790 -13.918 1.919
59 H SER 12 H SER 12 -7.893 -6.122 3.463
60 HA SER 12 HA SER 12 -6.823 -5.939 0.807
61 HB2 SER 12 1HB SER 12 -8.659 -4.492 -0.072
62 HB3 SER 12 2HB SER 12 -9.158 -6.162 0.195
63 HG SER 12 HG SER 12 -10.406 -4.133 1.074
64 H TYR 13 H TYR 13 -5.328 -4.419 0.967
65 HA TYR 13 HA TYR 13 -5.565 -2.364 3.020
66 HB2 TYR 13 1HB TYR 13 -3.230 -2.846 1.168
67 HB3 TYR 13 2HB TYR 13 -3.230 -1.960 2.689
68 HD1 TYR 13 HD1 TYR 13 -3.603 -5.347 1.224
69 HD2 TYR 13 HD2 TYR 13 -2.830 -3.065 4.731
70 HE1 TYR 13 HE1 TYR 13 -2.963 -7.403 2.413
71 HE2 TYR 13 HE2 TYR 13 -2.186 -5.114 5.929
72 HH TYR 13 HH TYR 13 -1.992 -7.321 5.830
73 H ASN 14 H ASN 14 -4.819 -0.127 2.438
74 HA ASN 14 HA ASN 14 -5.284 0.685 -0.307
75 HB2 ASN 14 1HB ASN 14 -7.006 1.823 1.904
76 HB3 ASN 14 2HB ASN 14 -7.090 2.211 0.188
77 HD21 ASN 14 1HD2 ASN 14 -7.439 -0.449 2.483
78 HD22 ASN 14 2HD2 ASN 14 -8.646 -1.299 1.586
79 H CYS 15 H CYS 15 -4.227 2.536 -0.833
80 HA CYS 15 HA CYS 15 -2.493 3.667 1.215
81 HB2 CYS 15 1HB CYS 15 -1.621 2.964 -1.037
82 HB3 CYS 15 2HB CYS 15 -2.547 4.285 -1.744
83 H ASN 16 H ASN 16 -4.467 4.645 2.235
84 HA ASN 16 HA ASN 16 -6.181 6.483 1.351
85 HB2 ASN 16 1HB ASN 16 -5.646 7.812 3.523
86 HB3 ASN 16 2HB ASN 16 -6.233 6.157 3.659
87 HD21 ASN 16 1HD2 ASN 16 -4.030 8.267 4.809
88 HD22 ASN 16 2HD2 ASN 16 -2.820 7.165 5.362
89 H GLU 17 H GLU 17 -2.728 7.069 1.805
90 HA GLU 17 HA GLU 17 -2.471 9.746 1.516
91 HB2 GLU 17 1HB GLU 17 -0.842 7.536 0.277
92 HB3 GLU 17 2HB GLU 17 -0.385 9.227 0.125
93 HG2 GLU 17 1HG GLU 17 0.854 8.344 1.926
94 HG3 GLU 17 2HG GLU 17 -0.404 9.359 2.627
95 H CYS 18 H CYS 18 -2.655 7.494 -1.245
96 HA CYS 18 HA CYS 18 -3.470 9.762 -2.934
97 HB2 CYS 18 1HB CYS 18 -2.770 8.355 -4.846
98 HB3 CYS 18 2HB CYS 18 -1.451 8.658 -3.720
99 H GLY 19 H GLY 19 -4.224 6.394 -2.137
100 HA2 GLY 19 1HA GLY 19 -6.579 5.827 -1.821
101 HA3 GLY 19 2HA GLY 19 -6.943 6.869 -3.188
102 H LYS 20 H LYS 20 -4.463 4.356 -2.800
103 HA LYS 20 HA LYS 20 -5.701 2.926 -5.061
104 HB2 LYS 20 1HB LYS 20 -3.413 4.143 -5.385
105 HB3 LYS 20 2HB LYS 20 -2.761 2.779 -4.486
106 HG2 LYS 20 1HG LYS 20 -3.711 1.248 -6.156
107 HG3 LYS 20 2HG LYS 20 -4.304 2.637 -7.069
108 HD2 LYS 20 1HD LYS 20 -2.053 3.412 -7.443
109 HD3 LYS 20 2HD LYS 20 -1.403 2.149 -6.395
110 HE2 LYS 20 1HE LYS 20 -2.947 1.627 -8.932
111 HE3 LYS 20 2HE LYS 20 -1.187 1.675 -8.835
112 HZ1 LYS 20 3HZ LYS 20 -1.105 -0.272 -7.667
113 HZ2 LYS 20 1HZ LYS 20 -2.464 -0.569 -8.631
114 HZ3 LYS 20 2HZ LYS 20 -2.658 -0.099 -7.018
115 H ALA 21 H ALA 21 -6.407 0.968 -4.557
116 HA ALA 21 HA ALA 21 -5.613 -0.272 -2.060
117 HB1 ALA 21 3HB ALA 21 -7.839 -0.630 -2.250
118 HB2 ALA 21 1HB ALA 21 -7.801 -0.630 -4.013
119 HB3 ALA 21 2HB ALA 21 -7.296 -2.065 -3.119
120 H PHE 22 H PHE 22 -4.427 -2.106 -1.822
121 HA PHE 22 HA PHE 22 -3.339 -3.322 -4.275
122 HB2 PHE 22 1HB PHE 22 -1.897 -2.856 -1.656
123 HB3 PHE 22 2HB PHE 22 -1.227 -3.692 -3.054
124 HD1 PHE 22 HD1 PHE 22 -2.287 -0.442 -1.717
125 HD2 PHE 22 HD2 PHE 22 -0.435 -2.487 -4.959
126 HE1 PHE 22 HE1 PHE 22 -1.478 1.706 -2.606
127 HE2 PHE 22 HE2 PHE 22 0.377 -0.343 -5.852
128 HZ PHE 22 HZ PHE 22 -0.144 1.757 -4.675
129 H THR 23 H THR 23 -3.306 -5.508 -4.394
130 HA THR 23 HA THR 23 -5.049 -7.079 -2.996
131 HB THR 23 HB THR 23 -3.675 -9.048 -3.717
132 HG1 THR 23 HG1 THR 23 -1.844 -8.516 -5.067
133 HG21 THR 23 3HG2 THR 23 -4.125 -6.946 -5.839
134 HG22 THR 23 1HG2 THR 23 -5.360 -8.028 -5.195
135 HG23 THR 23 2HG2 THR 23 -3.999 -8.685 -6.105
136 H ARG 24 H ARG 24 -1.532 -6.928 -2.408
137 HA ARG 24 HA ARG 24 -2.048 -7.917 0.320
138 HB2 ARG 24 1HB ARG 24 0.339 -8.304 -1.486
139 HB3 ARG 24 2HB ARG 24 0.373 -8.666 0.235
140 HG2 ARG 24 1HG ARG 24 -1.415 -9.944 -1.822
141 HG3 ARG 24 2HG ARG 24 -0.013 -10.679 -1.042
142 HD2 ARG 24 1HD ARG 24 -1.173 -10.363 1.150
143 HD3 ARG 24 2HD ARG 24 -2.600 -9.840 0.257
144 HE ARG 24 HE ARG 24 -2.996 -12.027 -0.349
145 HH11 ARG 24 1HH1 ARG 24 0.154 -11.750 1.107
146 HH12 ARG 24 2HH1 ARG 24 0.388 -13.461 1.238
147 HH21 ARG 24 1HH2 ARG 24 -2.700 -14.282 -0.181
148 HH22 ARG 24 2HH2 ARG 24 -1.236 -14.901 0.504
149 H ILE 25 H ILE 25 -0.084 -7.290 1.801
150 HA ILE 25 HA ILE 25 -0.061 -4.416 1.890
151 HB ILE 25 HB ILE 25 -0.252 -5.649 3.968
152 HG12 ILE 25 1HG1 ILE 25 1.984 -4.705 5.056
153 HG13 ILE 25 2HG1 ILE 25 2.132 -3.920 3.488
154 HG21 ILE 25 1HG2 ILE 25 0.924 -7.666 3.415
155 HG22 ILE 25 2HG2 ILE 25 2.443 -6.786 3.247
156 HG23 ILE 25 3HG2 ILE 25 1.687 -6.944 4.832
157 HD11 ILE 25 3HD1 ILE 25 0.335 -2.565 3.845
158 HD12 ILE 25 1HD1 ILE 25 -0.448 -3.703 4.941
159 HD13 ILE 25 2HD1 ILE 25 0.926 -2.747 5.497
160 H PHE 26 H PHE 26 2.292 -6.972 1.256
161 HA PHE 26 HA PHE 26 4.670 -5.666 1.279
162 HB2 PHE 26 1HB PHE 26 4.006 -7.397 -1.083
163 HB3 PHE 26 2HB PHE 26 5.508 -7.299 -0.170
164 HD1 PHE 26 HD1 PHE 26 5.352 -8.058 2.326
165 HD2 PHE 26 HD2 PHE 26 2.574 -9.158 -0.706
166 HE1 PHE 26 HE1 PHE 26 4.665 -10.004 3.666
167 HE2 PHE 26 HE2 PHE 26 1.882 -11.105 0.630
168 HZ PHE 26 HZ PHE 26 2.927 -11.530 2.819
169 H HIS 27 H HIS 27 2.572 -5.840 -1.603
170 HA HIS 27 HA HIS 27 4.000 -4.112 -3.226
171 HB2 HIS 27 1HB HIS 27 1.818 -5.559 -3.635
172 HB3 HIS 27 2HB HIS 27 1.017 -4.021 -3.326
173 HD2 HIS 27 HD2 HIS 27 4.343 -4.009 -5.355
174 HE1 HIS 27 HE1 HIS 27 1.140 -3.196 -8.016
175 HE2 HIS 27 HE2 HIS 27 3.639 -3.385 -7.765
176 H LEU 28 H LEU 28 1.545 -3.372 -0.796
177 HA LEU 28 HA LEU 28 1.337 -0.613 -1.349
178 HB2 LEU 28 1HB LEU 28 -0.374 -1.643 -0.074
179 HB3 LEU 28 2HB LEU 28 0.780 -2.247 1.113
180 HG LEU 28 HG LEU 28 1.179 0.086 1.847
181 HD11 LEU 28 1HD1 LEU 28 0.110 0.826 -0.525
182 HD12 LEU 28 2HD1 LEU 28 0.259 1.889 0.874
183 HD13 LEU 28 3HD1 LEU 28 -1.267 1.067 0.550
184 HD21 LEU 28 3HD2 LEU 28 -0.978 -1.586 2.398
185 HD22 LEU 28 1HD2 LEU 28 -1.685 0.017 2.202
186 HD23 LEU 28 2HD2 LEU 28 -0.398 -0.240 3.380
187 H THR 29 H THR 29 3.386 -2.447 0.877
188 HA THR 29 HA THR 29 4.566 -0.291 2.211
189 HB THR 29 HB THR 29 5.824 -2.965 1.570
190 HG1 THR 29 HG1 THR 29 3.871 -3.187 2.726
191 HG21 THR 29 3HG2 THR 29 6.541 -0.758 3.475
192 HG22 THR 29 1HG2 THR 29 7.574 -1.606 2.325
193 HG23 THR 29 2HG2 THR 29 7.021 -2.426 3.785
194 H ARG 30 H ARG 30 5.745 -2.103 -0.623
195 HA ARG 30 HA ARG 30 8.037 -0.522 -1.043
196 HB2 ARG 30 1HB ARG 30 8.281 -1.659 -3.100
197 HB3 ARG 30 2HB ARG 30 7.530 -2.818 -2.012
198 HG2 ARG 30 1HG ARG 30 5.413 -2.547 -3.039
199 HG3 ARG 30 2HG ARG 30 5.964 -1.139 -3.950
200 HD2 ARG 30 1HD ARG 30 6.008 -2.853 -5.523
201 HD3 ARG 30 2HD ARG 30 7.684 -2.744 -4.986
202 HE ARG 30 HE ARG 30 5.840 -4.926 -4.525
203 HH11 ARG 30 1HH1 ARG 30 8.836 -3.398 -3.624
204 HH12 ARG 30 2HH1 ARG 30 9.509 -4.834 -2.925
205 HH21 ARG 30 1HH2 ARG 30 6.715 -6.823 -3.607
206 HH22 ARG 30 2HH2 ARG 30 8.302 -6.781 -2.916
207 H HIS 31 H HIS 31 4.706 -0.047 -1.842
208 HA HIS 31 HA HIS 31 5.163 1.929 -3.875
209 HB2 HIS 31 1HB HIS 31 3.112 0.799 -4.086
210 HB3 HIS 31 2HB HIS 31 2.733 0.982 -2.375
211 HD1 HIS 31 HD1 HIS 31 3.132 3.197 -5.442
212 HD2 HIS 31 HD2 HIS 31 1.034 3.026 -1.860
213 HE1 HIS 31 HE1 HIS 31 1.556 5.156 -5.492
214 H GLN 32 H GLN 32 3.705 2.151 -0.623
215 HA GLN 32 HA GLN 32 3.458 4.808 -0.293
216 HB2 GLN 32 1HB GLN 32 4.529 2.806 1.694
217 HB3 GLN 32 2HB GLN 32 4.105 4.456 2.129
218 HG2 GLN 32 1HG GLN 32 1.816 3.853 1.039
219 HG3 GLN 32 2HG GLN 32 2.340 2.195 1.326
220 HE21 GLN 32 1HE2 GLN 32 0.179 2.699 2.595
221 HE22 GLN 32 2HE2 GLN 32 0.422 3.056 4.268
222 H LYS 33 H LYS 33 6.446 3.085 -0.593
223 HA LYS 33 HA LYS 33 8.306 4.724 0.560
224 HB2 LYS 33 1HB LYS 33 8.505 3.359 -2.131
225 HB3 LYS 33 2HB LYS 33 9.869 3.993 -1.220
226 HG2 LYS 33 1HG LYS 33 9.028 2.426 0.661
227 HG3 LYS 33 2HG LYS 33 8.151 1.619 -0.641
228 HD2 LYS 33 1HD LYS 33 10.130 0.437 -0.622
229 HD3 LYS 33 2HD LYS 33 10.471 1.666 -1.842
230 HE2 LYS 33 1HE LYS 33 11.493 3.044 0.008
231 HE3 LYS 33 2HE LYS 33 11.357 1.618 1.035
232 HZ1 LYS 33 3HZ LYS 33 13.524 2.113 -0.326
233 HZ2 LYS 33 1HZ LYS 33 12.677 1.326 -1.561
234 HZ3 LYS 33 2HZ LYS 33 12.980 0.527 -0.102
235 H ILE 34 H ILE 34 6.928 5.092 -2.701
236 HA ILE 34 HA ILE 34 8.319 7.395 -3.437
237 HB ILE 34 HB ILE 34 6.656 7.748 -5.126
238 HG12 ILE 34 1HG1 ILE 34 4.886 5.682 -3.829
239 HG13 ILE 34 2HG1 ILE 34 4.731 7.396 -3.461
240 HG21 ILE 34 1HG2 ILE 34 7.741 5.116 -4.573
241 HG22 ILE 34 2HG2 ILE 34 6.288 5.044 -5.569
242 HG23 ILE 34 3HG2 ILE 34 7.667 6.011 -6.090
243 HD11 ILE 34 3HD1 ILE 34 4.339 6.053 -6.120
244 HD12 ILE 34 1HD1 ILE 34 3.124 6.850 -5.121
245 HD13 ILE 34 2HD1 ILE 34 4.389 7.802 -5.898
246 H HIS 35 H HIS 35 5.536 6.975 -1.382
247 HA HIS 35 HA HIS 35 4.807 9.756 -1.365
248 HB2 HIS 35 1HB HIS 35 3.950 7.365 0.255
249 HB3 HIS 35 2HB HIS 35 3.388 8.990 0.635
250 HD1 HIS 35 HD1 HIS 35 1.987 10.197 -1.309
251 HD2 HIS 35 HD2 HIS 35 2.576 6.107 -1.745
252 HE1 HIS 35 HE1 HIS 35 0.297 9.452 -3.016
253 H THR 36 H THR 36 5.778 7.667 1.354
254 HA THR 36 HA THR 36 6.451 9.629 3.147
255 HB THR 36 HB THR 36 6.382 7.229 3.714
256 HG1 THR 36 HG1 THR 36 8.344 7.306 5.053
257 HG21 THR 36 3HG2 THR 36 8.271 7.018 1.624
258 HG22 THR 36 1HG2 THR 36 7.605 5.724 2.619
259 HG23 THR 36 2HG2 THR 36 9.091 6.537 3.109
260 H ARG 37 H ARG 37 8.104 11.007 3.461
261 HA ARG 37 HA ARG 37 10.616 10.643 2.042
262 HB2 ARG 37 1HB ARG 37 8.840 12.056 0.690
263 HB3 ARG 37 2HB ARG 37 9.343 13.334 1.789
264 HG2 ARG 37 1HG ARG 37 11.747 12.605 1.040
265 HG3 ARG 37 2HG ARG 37 10.879 11.961 -0.356
266 HD2 ARG 37 1HD ARG 37 10.564 14.790 0.625
267 HD3 ARG 37 2HD ARG 37 11.754 14.317 -0.588
268 HE ARG 37 HE ARG 37 9.124 13.455 -1.276
269 HH11 ARG 37 1HH1 ARG 37 11.260 16.204 -1.267
270 HH12 ARG 37 2HH1 ARG 37 10.466 16.989 -2.592
271 HH21 ARG 37 1HH2 ARG 37 8.071 14.478 -3.021
272 HH22 ARG 37 2HH2 ARG 37 8.652 16.007 -3.588
273 H LYS 38 H LYS 38 12.340 11.863 2.904
274 HA LYS 38 HA LYS 38 11.865 12.738 5.653
275 HB2 LYS 38 1HB LYS 38 14.396 12.063 4.148
276 HB3 LYS 38 2HB LYS 38 14.381 12.683 5.794
277 HG2 LYS 38 1HG LYS 38 13.590 10.733 6.672
278 HG3 LYS 38 2HG LYS 38 12.748 10.277 5.190
279 HD2 LYS 38 1HD LYS 38 14.581 8.784 5.427
280 HD3 LYS 38 2HD LYS 38 15.011 9.918 4.145
281 HE2 LYS 38 1HE LYS 38 16.948 9.940 5.358
282 HE3 LYS 38 2HE LYS 38 16.078 11.252 6.152
283 HZ1 LYS 38 3HZ LYS 38 16.290 8.447 7.101
284 HZ2 LYS 38 1HZ LYS 38 15.336 9.637 7.833
285 HZ3 LYS 38 2HZ LYS 38 17.018 9.806 7.797
286 H SER 39 H SER 39 10.978 14.785 5.282
287 HA SER 39 HA SER 39 12.458 16.731 3.731
288 HB2 SER 39 1HB SER 39 10.628 18.271 4.342
289 HB3 SER 39 2HB SER 39 10.009 16.763 3.669
290 HG SER 39 HG SER 39 9.558 16.071 5.776
291 H GLY 40 H GLY 40 11.587 16.222 7.137
292 HA2 GLY 40 1HA GLY 40 13.873 16.896 8.374
293 HA3 GLY 40 2HA GLY 40 13.213 18.475 7.976
294 HA PRO 41 HA PRO 41 11.001 18.362 11.769
295 HB2 PRO 41 1HB PRO 41 9.045 20.156 11.197
296 HB3 PRO 41 2HB PRO 41 10.721 20.627 11.505
297 HG2 PRO 41 1HG PRO 41 9.301 20.279 8.892
298 HG3 PRO 41 2HG PRO 41 10.419 21.560 9.396
299 HD2 PRO 41 1HD PRO 41 11.188 19.488 7.833
300 HD3 PRO 41 2HD PRO 41 12.283 20.266 8.994
301 H SER 42 H SER 42 9.588 16.931 12.541
302 HA SER 42 HA SER 42 7.467 15.948 10.756
303 HB2 SER 42 1HB SER 42 8.839 14.664 13.124
304 HB3 SER 42 2HB SER 42 7.416 13.978 12.340
305 HG SER 42 HG SER 42 8.651 13.952 10.382
306 H SER 43 H SER 43 5.349 15.827 11.441
307 HA SER 43 HA SER 43 4.675 16.790 14.112
308 HB2 SER 43 1HB SER 43 4.761 18.686 12.283
309 HB3 SER 43 2HB SER 43 3.198 18.017 11.814
310 HG SER 43 HG SER 43 2.581 19.379 13.333
311 H GLY 44 H GLY 44 2.219 16.683 14.433
312 HA2 GLY 44 1HA GLY 44 0.142 15.648 13.691
313 HA3 GLY 44 2HA GLY 44 1.112 14.404 12.918
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -23.136 3.994 15.801
2 HA2 GLY 1 1HA GLY 1 -24.428 2.328 13.738
3 HA3 GLY 1 2HA GLY 1 -22.680 2.323 13.926
4 H SER 2 H SER 2 -25.101 0.390 14.405
5 HA SER 2 HA SER 2 -24.741 -0.321 17.181
6 HB2 SER 2 1HB SER 2 -26.453 -1.277 14.932
7 HB3 SER 2 2HB SER 2 -26.155 -2.383 16.273
8 HG SER 2 HG SER 2 -26.790 -0.430 17.597
9 H SER 3 H SER 3 -24.227 -2.043 14.098
10 HA SER 3 HA SER 3 -21.667 -3.005 14.834
11 HB2 SER 3 1HB SER 3 -22.312 -5.446 14.957
12 HB3 SER 3 2HB SER 3 -22.799 -4.478 16.348
13 HG SER 3 HG SER 3 -24.749 -5.108 15.941
14 H GLY 4 H GLY 4 -20.691 -4.309 13.184
15 HA2 GLY 4 1HA GLY 4 -22.253 -4.539 10.699
16 HA3 GLY 4 2HA GLY 4 -20.715 -3.689 10.681
17 H SER 5 H SER 5 -22.239 -6.818 11.259
18 HA SER 5 HA SER 5 -20.082 -8.432 11.723
19 HB2 SER 5 1HB SER 5 -22.625 -8.893 10.191
20 HB3 SER 5 2HB SER 5 -21.412 -10.168 10.308
21 HG SER 5 HG SER 5 -22.971 -8.996 12.328
22 H SER 6 H SER 6 -18.753 -9.761 10.377
23 HA SER 6 HA SER 6 -18.187 -8.526 7.763
24 HB2 SER 6 1HB SER 6 -15.864 -9.268 8.055
25 HB3 SER 6 2HB SER 6 -16.369 -8.248 9.402
26 HG SER 6 HG SER 6 -16.058 -11.058 9.342
27 H GLY 7 H GLY 7 -19.525 -9.833 6.524
28 HA2 GLY 7 1HA GLY 7 -19.870 -12.571 6.685
29 HA3 GLY 7 2HA GLY 7 -19.990 -11.647 5.194
30 H THR 8 H THR 8 -18.066 -11.351 3.919
31 HA THR 8 HA THR 8 -16.613 -13.682 3.506
32 HB THR 8 HB THR 8 -15.089 -12.309 2.106
33 HG1 THR 8 HG1 THR 8 -14.912 -10.277 2.647
34 HG21 THR 8 3HG2 THR 8 -17.333 -11.108 0.989
35 HG22 THR 8 1HG2 THR 8 -17.970 -12.509 1.848
36 HG23 THR 8 2HG2 THR 8 -16.714 -12.719 0.628
37 H ASP 9 H ASP 9 -14.186 -13.856 3.569
38 HA ASP 9 HA ASP 9 -13.127 -12.699 6.064
39 HB2 ASP 9 1HB ASP 9 -13.731 -15.167 6.169
40 HB3 ASP 9 2HB ASP 9 -12.423 -15.443 5.022
41 H SER 10 H SER 10 -12.757 -11.458 3.619
42 HA SER 10 HA SER 10 -9.880 -11.905 3.179
43 HB2 SER 10 1HB SER 10 -10.092 -11.611 0.840
44 HB3 SER 10 2HB SER 10 -11.403 -12.707 1.277
45 HG SER 10 HG SER 10 -11.650 -9.897 0.941
46 H LYS 11 H LYS 11 -8.682 -10.167 3.555
47 HA LYS 11 HA LYS 11 -10.018 -7.551 3.698
48 HB2 LYS 11 1HB LYS 11 -8.294 -6.861 5.220
49 HB3 LYS 11 2HB LYS 11 -8.916 -8.413 5.767
50 HG2 LYS 11 1HG LYS 11 -6.982 -9.523 4.707
51 HG3 LYS 11 2HG LYS 11 -6.345 -7.934 4.274
52 HD2 LYS 11 1HD LYS 11 -7.042 -8.550 7.118
53 HD3 LYS 11 2HD LYS 11 -5.512 -9.110 6.440
54 HE2 LYS 11 1HE LYS 11 -4.846 -6.870 5.926
55 HE3 LYS 11 2HE LYS 11 -6.440 -6.245 6.344
56 HZ1 LYS 11 3HZ LYS 11 -6.024 -7.032 8.645
57 HZ2 LYS 11 1HZ LYS 11 -4.969 -5.808 8.144
58 HZ3 LYS 11 2HZ LYS 11 -4.438 -7.413 8.196
59 H SER 12 H SER 12 -8.959 -5.693 2.852
60 HA SER 12 HA SER 12 -6.768 -6.203 0.972
61 HB2 SER 12 1HB SER 12 -7.859 -5.121 -0.845
62 HB3 SER 12 2HB SER 12 -9.032 -6.265 -0.194
63 HG SER 12 HG SER 12 -10.271 -4.568 -0.091
64 H TYR 13 H TYR 13 -5.185 -4.797 1.285
65 HA TYR 13 HA TYR 13 -5.534 -2.525 2.996
66 HB2 TYR 13 1HB TYR 13 -3.104 -3.190 1.331
67 HB3 TYR 13 2HB TYR 13 -3.168 -2.212 2.793
68 HD1 TYR 13 HD2 TYR 13 -3.738 -3.355 4.982
69 HD2 TYR 13 HD1 TYR 13 -2.772 -5.517 1.448
70 HE1 TYR 13 HE2 TYR 13 -3.250 -5.346 6.341
71 HE2 TYR 13 HE1 TYR 13 -2.282 -7.514 2.796
72 HH TYR 13 HH TYR 13 -2.220 -8.393 4.830
73 H ASN 14 H ASN 14 -5.107 -0.330 2.453
74 HA ASN 14 HA ASN 14 -5.103 0.384 -0.372
75 HB2 ASN 14 1HB ASN 14 -7.176 1.583 1.462
76 HB3 ASN 14 2HB ASN 14 -7.065 1.721 -0.291
77 HD21 ASN 14 1HD2 ASN 14 -7.968 0.189 -1.555
78 HD22 ASN 14 2HD2 ASN 14 -8.851 -1.169 -0.952
79 H CYS 15 H CYS 15 -3.999 2.220 -0.783
80 HA CYS 15 HA CYS 15 -2.412 3.373 1.255
81 HB2 CYS 15 1HB CYS 15 -1.610 3.297 -1.028
82 HB3 CYS 15 2HB CYS 15 -2.964 4.279 -1.576
83 H ASN 16 H ASN 16 -2.399 5.549 2.016
84 HA ASN 16 HA ASN 16 -5.088 6.740 2.097
85 HB2 ASN 16 1HB ASN 16 -4.292 6.030 4.285
86 HB3 ASN 16 2HB ASN 16 -2.806 6.950 4.073
87 HD21 ASN 16 1HD2 ASN 16 -3.368 7.990 6.061
88 HD22 ASN 16 2HD2 ASN 16 -4.503 9.293 6.065
89 H GLU 17 H GLU 17 -1.722 7.336 1.418
90 HA GLU 17 HA GLU 17 -1.738 10.136 1.360
91 HB2 GLU 17 1HB GLU 17 -0.085 8.082 -0.093
92 HB3 GLU 17 2HB GLU 17 0.171 9.806 -0.325
93 HG2 GLU 17 1HG GLU 17 1.734 8.982 1.293
94 HG3 GLU 17 2HG GLU 17 0.575 10.043 2.094
95 H CYS 18 H CYS 18 -1.979 7.893 -1.406
96 HA CYS 18 HA CYS 18 -3.324 10.032 -2.913
97 HB2 CYS 18 1HB CYS 18 -2.641 8.851 -4.937
98 HB3 CYS 18 2HB CYS 18 -1.242 9.177 -3.919
99 H GLY 19 H GLY 19 -3.450 6.548 -2.232
100 HA2 GLY 19 1HA GLY 19 -5.605 5.583 -1.629
101 HA3 GLY 19 2HA GLY 19 -6.343 6.656 -2.809
102 H LYS 20 H LYS 20 -4.728 3.652 -2.285
103 HA LYS 20 HA LYS 20 -5.545 2.748 -4.917
104 HB2 LYS 20 1HB LYS 20 -3.263 3.655 -5.266
105 HB3 LYS 20 2HB LYS 20 -2.657 2.547 -4.042
106 HG2 LYS 20 1HG LYS 20 -2.892 0.706 -5.394
107 HG3 LYS 20 2HG LYS 20 -4.152 1.456 -6.377
108 HD2 LYS 20 1HD LYS 20 -2.636 2.647 -7.647
109 HD3 LYS 20 2HD LYS 20 -1.395 2.606 -6.392
110 HE2 LYS 20 1HE LYS 20 -1.480 0.021 -6.846
111 HE3 LYS 20 2HE LYS 20 -2.150 0.529 -8.395
112 HZ1 LYS 20 3HZ LYS 20 0.540 0.928 -7.312
113 HZ2 LYS 20 1HZ LYS 20 -0.088 2.125 -8.330
114 HZ3 LYS 20 2HZ LYS 20 0.057 0.534 -8.885
115 H ALA 21 H ALA 21 -6.236 0.697 -4.852
116 HA ALA 21 HA ALA 21 -6.026 -0.745 -2.340
117 HB1 ALA 21 3HB ALA 21 -7.864 -0.698 -4.580
118 HB2 ALA 21 1HB ALA 21 -7.443 -2.343 -4.101
119 HB3 ALA 21 2HB ALA 21 -8.122 -1.225 -2.917
120 H PHE 22 H PHE 22 -4.613 -2.315 -1.958
121 HA PHE 22 HA PHE 22 -3.324 -3.631 -4.259
122 HB2 PHE 22 1HB PHE 22 -2.042 -3.141 -1.567
123 HB3 PHE 22 2HB PHE 22 -1.265 -3.752 -3.025
124 HD1 PHE 22 HD1 PHE 22 -2.690 -0.782 -1.399
125 HD2 PHE 22 HD2 PHE 22 -0.537 -2.279 -4.752
126 HE1 PHE 22 HE1 PHE 22 -2.083 1.517 -2.031
127 HE2 PHE 22 HE2 PHE 22 0.074 0.018 -5.389
128 HZ PHE 22 HZ PHE 22 -0.698 1.919 -4.027
129 H THR 23 H THR 23 -3.298 -5.805 -4.293
130 HA THR 23 HA THR 23 -5.029 -7.312 -2.736
131 HB THR 23 HB THR 23 -2.570 -8.371 -4.140
132 HG1 THR 23 HG1 THR 23 -3.568 -7.814 -5.911
133 HG21 THR 23 3HG2 THR 23 -3.285 -10.360 -3.436
134 HG22 THR 23 1HG2 THR 23 -4.765 -10.117 -4.362
135 HG23 THR 23 2HG2 THR 23 -4.694 -9.625 -2.670
136 H ARG 24 H ARG 24 -1.474 -7.152 -2.503
137 HA ARG 24 HA ARG 24 -1.693 -8.246 0.223
138 HB2 ARG 24 1HB ARG 24 0.585 -8.347 -1.757
139 HB3 ARG 24 2HB ARG 24 0.730 -8.850 -0.078
140 HG2 ARG 24 1HG ARG 24 -1.254 -10.041 -1.998
141 HG3 ARG 24 2HG ARG 24 0.362 -10.697 -1.725
142 HD2 ARG 24 1HD ARG 24 -1.361 -10.177 0.641
143 HD3 ARG 24 2HD ARG 24 -1.750 -11.561 -0.379
144 HE ARG 24 HE ARG 24 0.557 -11.251 1.339
145 HH11 ARG 24 1HH1 ARG 24 -0.903 -12.994 -1.297
146 HH12 ARG 24 2HH1 ARG 24 0.094 -14.396 -1.094
147 HH21 ARG 24 1HH2 ARG 24 1.876 -13.091 1.617
148 HH22 ARG 24 2HH2 ARG 24 1.674 -14.451 0.564
149 H ILE 25 H ILE 25 -0.184 -7.414 1.822
150 HA ILE 25 HA ILE 25 -0.130 -4.574 1.846
151 HB ILE 25 HB ILE 25 -0.364 -5.847 3.914
152 HG12 ILE 25 1HG1 ILE 25 1.690 -4.733 5.136
153 HG13 ILE 25 2HG1 ILE 25 1.949 -3.980 3.567
154 HG21 ILE 25 1HG2 ILE 25 2.449 -6.771 3.346
155 HG22 ILE 25 2HG2 ILE 25 1.603 -7.007 4.875
156 HG23 ILE 25 3HG2 ILE 25 0.995 -7.768 3.405
157 HD11 ILE 25 3HD1 ILE 25 -0.646 -3.452 3.863
158 HD12 ILE 25 1HD1 ILE 25 -0.177 -3.534 5.561
159 HD13 ILE 25 2HD1 ILE 25 0.627 -2.398 4.477
160 H PHE 26 H PHE 26 2.291 -7.059 1.241
161 HA PHE 26 HA PHE 26 4.653 -5.752 1.391
162 HB2 PHE 26 1HB PHE 26 4.065 -7.333 -1.093
163 HB3 PHE 26 2HB PHE 26 5.538 -7.292 -0.129
164 HD1 PHE 26 HD1 PHE 26 4.703 -7.851 2.544
165 HD2 PHE 26 HD2 PHE 26 3.232 -9.470 -1.108
166 HE1 PHE 26 HE1 PHE 26 3.978 -9.877 3.738
167 HE2 PHE 26 HE2 PHE 26 2.504 -11.498 0.081
168 HZ PHE 26 HZ PHE 26 2.876 -11.703 2.506
169 H HIS 27 H HIS 27 2.679 -5.774 -1.583
170 HA HIS 27 HA HIS 27 4.154 -3.902 -3.006
171 HB2 HIS 27 1HB HIS 27 2.230 -5.379 -3.820
172 HB3 HIS 27 2HB HIS 27 1.154 -4.130 -3.202
173 HD2 HIS 27 HD2 HIS 27 2.906 -4.990 -6.404
174 HE1 HIS 27 HE1 HIS 27 2.160 -0.818 -6.599
175 HE2 HIS 27 HE2 HIS 27 2.759 -2.887 -7.904
176 H LEU 28 H LEU 28 1.406 -3.392 -0.822
177 HA LEU 28 HA LEU 28 1.077 -0.656 -1.176
178 HB2 LEU 28 1HB LEU 28 -0.562 -1.812 0.051
179 HB3 LEU 28 2HB LEU 28 0.625 -2.457 1.183
180 HG LEU 28 HG LEU 28 0.930 -0.174 2.097
181 HD11 LEU 28 1HD1 LEU 28 0.323 1.207 0.268
182 HD12 LEU 28 2HD1 LEU 28 -0.870 1.486 1.535
183 HD13 LEU 28 3HD1 LEU 28 -1.275 0.469 0.153
184 HD21 LEU 28 3HD2 LEU 28 -1.948 -0.453 2.408
185 HD22 LEU 28 1HD2 LEU 28 -0.658 -0.616 3.599
186 HD23 LEU 28 2HD2 LEU 28 -1.091 -1.986 2.576
187 H THR 29 H THR 29 3.216 -2.395 1.054
188 HA THR 29 HA THR 29 4.240 -0.170 2.412
189 HB THR 29 HB THR 29 5.607 -2.803 1.823
190 HG1 THR 29 HG1 THR 29 4.745 -3.438 3.779
191 HG21 THR 29 3HG2 THR 29 6.228 -0.709 3.909
192 HG22 THR 29 1HG2 THR 29 7.209 -1.075 2.491
193 HG23 THR 29 2HG2 THR 29 7.011 -2.281 3.762
194 H ARG 30 H ARG 30 5.378 -1.814 -0.518
195 HA ARG 30 HA ARG 30 7.675 -0.178 -0.860
196 HB2 ARG 30 1HB ARG 30 6.195 -1.733 -2.986
197 HB3 ARG 30 2HB ARG 30 7.869 -1.200 -3.038
198 HG2 ARG 30 1HG ARG 30 8.441 -2.707 -1.233
199 HG3 ARG 30 2HG ARG 30 6.752 -3.196 -1.081
200 HD2 ARG 30 1HD ARG 30 6.772 -4.310 -3.142
201 HD3 ARG 30 2HD ARG 30 8.243 -3.493 -3.667
202 HE ARG 30 HE ARG 30 8.725 -5.068 -1.357
203 HH11 ARG 30 1HH1 ARG 30 8.216 -5.289 -4.794
204 HH12 ARG 30 2HH1 ARG 30 9.112 -6.761 -4.964
205 HH21 ARG 30 1HH2 ARG 30 9.908 -7.006 -1.568
206 HH22 ARG 30 2HH2 ARG 30 10.074 -7.738 -3.128
207 H HIS 31 H HIS 31 4.354 -0.003 -2.004
208 HA HIS 31 HA HIS 31 4.701 2.032 -3.914
209 HB2 HIS 31 1HB HIS 31 2.653 0.940 -4.075
210 HB3 HIS 31 2HB HIS 31 2.363 1.011 -2.340
211 HD1 HIS 31 HD1 HIS 31 2.273 3.211 -5.409
212 HD2 HIS 31 HD2 HIS 31 0.897 3.170 -1.489
213 HE1 HIS 31 HE1 HIS 31 0.708 5.170 -5.226
214 H GLN 32 H GLN 32 3.546 2.253 -0.546
215 HA GLN 32 HA GLN 32 3.182 4.922 -0.263
216 HB2 GLN 32 1HB GLN 32 4.454 2.983 1.665
217 HB3 GLN 32 2HB GLN 32 4.048 4.635 2.109
218 HG2 GLN 32 1HG GLN 32 1.691 4.158 1.484
219 HG3 GLN 32 2HG GLN 32 2.150 2.475 1.229
220 HE21 GLN 32 1HE2 GLN 32 0.473 4.137 3.247
221 HE22 GLN 32 2HE2 GLN 32 0.920 3.449 4.767
222 H LYS 33 H LYS 33 6.178 3.318 -0.840
223 HA LYS 33 HA LYS 33 8.069 5.043 0.162
224 HB2 LYS 33 1HB LYS 33 8.094 3.597 -2.493
225 HB3 LYS 33 2HB LYS 33 9.505 4.334 -1.745
226 HG2 LYS 33 1HG LYS 33 7.878 2.191 -0.406
227 HG3 LYS 33 2HG LYS 33 9.263 1.848 -1.446
228 HD2 LYS 33 1HD LYS 33 10.727 3.085 0.015
229 HD3 LYS 33 2HD LYS 33 9.360 3.611 1.001
230 HE2 LYS 33 1HE LYS 33 8.920 1.122 1.390
231 HE3 LYS 33 2HE LYS 33 10.537 0.859 0.738
232 HZ1 LYS 33 3HZ LYS 33 10.014 1.307 3.321
233 HZ2 LYS 33 1HZ LYS 33 10.363 2.879 2.803
234 HZ3 LYS 33 2HZ LYS 33 11.500 1.646 2.587
235 H ILE 34 H ILE 34 6.416 5.282 -2.981
236 HA ILE 34 HA ILE 34 7.636 7.528 -3.996
237 HB ILE 34 HB ILE 34 5.659 7.927 -5.316
238 HG12 ILE 34 1HG1 ILE 34 4.087 5.846 -3.865
239 HG13 ILE 34 2HG1 ILE 34 4.183 7.456 -3.160
240 HG21 ILE 34 1HG2 ILE 34 5.160 5.284 -5.741
241 HG22 ILE 34 2HG2 ILE 34 6.536 6.170 -6.397
242 HG23 ILE 34 3HG2 ILE 34 6.719 5.227 -4.918
243 HD11 ILE 34 3HD1 ILE 34 2.614 8.174 -4.534
244 HD12 ILE 34 1HD1 ILE 34 3.575 7.694 -5.932
245 HD13 ILE 34 2HD1 ILE 34 2.467 6.542 -5.187
246 H HIS 35 H HIS 35 5.465 7.293 -1.321
247 HA HIS 35 HA HIS 35 4.958 10.165 -1.283
248 HB2 HIS 35 1HB HIS 35 4.015 7.993 0.600
249 HB3 HIS 35 2HB HIS 35 3.488 9.673 0.623
250 HD1 HIS 35 HD1 HIS 35 2.689 10.289 -2.139
251 HD2 HIS 35 HD2 HIS 35 2.023 6.539 -0.480
252 HE1 HIS 35 HE1 HIS 35 0.830 9.274 -3.495
253 H THR 36 H THR 36 7.645 9.488 -0.991
254 HA THR 36 HA THR 36 8.196 9.816 1.872
255 HB THR 36 HB THR 36 9.432 8.016 0.781
256 HG1 THR 36 HG1 THR 36 11.551 8.769 1.382
257 HG21 THR 36 3HG2 THR 36 9.633 9.855 -1.349
258 HG22 THR 36 1HG2 THR 36 10.248 8.204 -1.284
259 HG23 THR 36 2HG2 THR 36 11.276 9.549 -0.786
260 H ARG 37 H ARG 37 8.075 11.918 2.409
261 HA ARG 37 HA ARG 37 8.341 14.163 0.930
262 HB2 ARG 37 1HB ARG 37 8.757 15.368 2.911
263 HB3 ARG 37 2HB ARG 37 7.851 13.952 3.426
264 HG2 ARG 37 1HG ARG 37 10.844 13.988 3.500
265 HG3 ARG 37 2HG ARG 37 9.880 14.671 4.811
266 HD2 ARG 37 1HD ARG 37 8.798 12.550 5.182
267 HD3 ARG 37 2HD ARG 37 9.605 11.852 3.779
268 HE ARG 37 HE ARG 37 11.500 11.569 5.042
269 HH11 ARG 37 1HH1 ARG 37 9.284 13.661 6.724
270 HH12 ARG 37 2HH1 ARG 37 10.190 13.651 8.200
271 HH21 ARG 37 1HH2 ARG 37 12.703 11.547 6.981
272 HH22 ARG 37 2HH2 ARG 37 12.135 12.449 8.345
273 H LYS 38 H LYS 38 10.038 15.683 0.525
274 HA LYS 38 HA LYS 38 12.566 14.362 -0.087
275 HB2 LYS 38 1HB LYS 38 11.584 17.119 -0.849
276 HB3 LYS 38 2HB LYS 38 13.038 16.338 -1.454
277 HG2 LYS 38 1HG LYS 38 10.264 15.246 -1.855
278 HG3 LYS 38 2HG LYS 38 11.093 16.290 -3.012
279 HD2 LYS 38 1HD LYS 38 12.463 13.826 -2.033
280 HD3 LYS 38 2HD LYS 38 11.193 13.678 -3.251
281 HE2 LYS 38 1HE LYS 38 12.515 15.569 -4.459
282 HE3 LYS 38 2HE LYS 38 13.847 15.046 -3.429
283 HZ1 LYS 38 3HZ LYS 38 14.212 13.350 -4.782
284 HZ2 LYS 38 1HZ LYS 38 12.991 13.905 -5.814
285 HZ3 LYS 38 2HZ LYS 38 12.626 12.793 -4.593
286 H SER 39 H SER 39 14.501 14.887 0.802
287 HA SER 39 HA SER 39 14.422 16.646 3.141
288 HB2 SER 39 1HB SER 39 16.507 15.552 3.809
289 HB3 SER 39 2HB SER 39 15.272 14.346 3.451
290 HG SER 39 HG SER 39 17.598 14.997 2.042
291 H GLY 40 H GLY 40 15.387 18.574 3.174
292 HA2 GLY 40 1HA GLY 40 17.534 19.743 2.565
293 HA3 GLY 40 2HA GLY 40 17.176 19.242 0.919
294 HA PRO 41 HA PRO 41 14.806 22.848 0.175
295 HB2 PRO 41 1HB PRO 41 12.592 21.937 -1.105
296 HB3 PRO 41 2HB PRO 41 14.193 21.962 -1.854
297 HG2 PRO 41 1HG PRO 41 12.738 19.684 -0.568
298 HG3 PRO 41 2HG PRO 41 13.678 19.705 -2.071
299 HD2 PRO 41 1HD PRO 41 14.678 18.753 0.258
300 HD3 PRO 41 2HD PRO 41 15.693 19.548 -0.962
301 H SER 42 H SER 42 13.816 20.660 2.438
302 HA SER 42 HA SER 42 11.173 21.290 3.018
303 HB2 SER 42 1HB SER 42 12.435 19.460 4.105
304 HB3 SER 42 2HB SER 42 13.372 20.655 5.001
305 HG SER 42 HG SER 42 11.823 20.516 6.407
306 H SER 43 H SER 43 10.339 22.591 4.830
307 HA SER 43 HA SER 43 11.844 25.110 5.113
308 HB2 SER 43 1HB SER 43 9.701 26.283 5.215
309 HB3 SER 43 2HB SER 43 9.809 25.345 3.726
310 HG SER 43 HG SER 43 8.719 23.681 5.283
311 H GLY 44 H GLY 44 9.916 22.662 6.695
312 HA2 GLY 44 1HA GLY 44 10.315 22.079 8.979
313 HA3 GLY 44 2HA GLY 44 10.794 23.742 9.284
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -26.339 -11.562 22.526
2 HA2 GLY 1 1HA GLY 1 -26.205 -8.771 21.912
3 HA3 GLY 1 2HA GLY 1 -24.794 -9.306 22.813
4 H SER 2 H SER 2 -26.292 -9.130 19.766
5 HA SER 2 HA SER 2 -23.987 -10.467 18.558
6 HB2 SER 2 1HB SER 2 -26.870 -11.079 17.868
7 HB3 SER 2 2HB SER 2 -25.481 -11.617 16.924
8 HG SER 2 HG SER 2 -24.751 -12.663 18.893
9 H SER 3 H SER 3 -23.096 -9.165 17.113
10 HA SER 3 HA SER 3 -24.699 -7.649 15.256
11 HB2 SER 3 1HB SER 3 -24.428 -6.278 17.458
12 HB3 SER 3 2HB SER 3 -22.774 -6.028 16.899
13 HG SER 3 HG SER 3 -24.616 -4.502 16.255
14 H GLY 4 H GLY 4 -23.515 -6.881 13.471
15 HA2 GLY 4 1HA GLY 4 -20.932 -6.526 12.963
16 HA3 GLY 4 2HA GLY 4 -20.983 -8.278 13.095
17 H SER 5 H SER 5 -23.222 -5.927 11.634
18 HA SER 5 HA SER 5 -23.703 -7.597 9.382
19 HB2 SER 5 1HB SER 5 -25.081 -5.792 8.554
20 HB3 SER 5 2HB SER 5 -25.338 -5.932 10.294
21 HG SER 5 HG SER 5 -23.444 -4.140 9.204
22 H SER 6 H SER 6 -22.415 -7.894 7.701
23 HA SER 6 HA SER 6 -21.107 -5.694 6.396
24 HB2 SER 6 1HB SER 6 -18.819 -6.596 6.594
25 HB3 SER 6 2HB SER 6 -19.475 -6.149 8.169
26 HG SER 6 HG SER 6 -20.165 -8.574 8.011
27 H GLY 7 H GLY 7 -20.882 -6.090 4.267
28 HA2 GLY 7 1HA GLY 7 -22.152 -8.032 2.900
29 HA3 GLY 7 2HA GLY 7 -20.681 -7.288 2.293
30 H THR 8 H THR 8 -18.652 -8.251 3.558
31 HA THR 8 HA THR 8 -18.788 -11.006 4.263
32 HB THR 8 HB THR 8 -19.100 -11.183 1.794
33 HG1 THR 8 HG1 THR 8 -16.646 -12.213 2.824
34 HG21 THR 8 3HG2 THR 8 -17.298 -9.177 1.590
35 HG22 THR 8 1HG2 THR 8 -17.680 -10.290 0.276
36 HG23 THR 8 2HG2 THR 8 -16.260 -10.569 1.285
37 H ASP 9 H ASP 9 -16.892 -11.734 5.176
38 HA ASP 9 HA ASP 9 -14.980 -9.715 5.887
39 HB2 ASP 9 1HB ASP 9 -13.860 -11.783 7.010
40 HB3 ASP 9 2HB ASP 9 -15.390 -11.183 7.644
41 H SER 10 H SER 10 -13.047 -9.319 5.012
42 HA SER 10 HA SER 10 -11.506 -11.288 3.638
43 HB2 SER 10 1HB SER 10 -13.045 -10.902 1.825
44 HB3 SER 10 2HB SER 10 -12.893 -9.154 2.002
45 HG SER 10 HG SER 10 -11.433 -10.765 0.501
46 H LYS 11 H LYS 11 -9.446 -10.451 2.893
47 HA LYS 11 HA LYS 11 -8.626 -8.127 4.468
48 HB2 LYS 11 1HB LYS 11 -6.369 -8.935 4.217
49 HB3 LYS 11 2HB LYS 11 -7.395 -10.273 4.716
50 HG2 LYS 11 1HG LYS 11 -6.216 -11.307 3.079
51 HG3 LYS 11 2HG LYS 11 -7.538 -10.661 2.103
52 HD2 LYS 11 1HD LYS 11 -6.224 -9.008 1.178
53 HD3 LYS 11 2HD LYS 11 -5.092 -9.004 2.533
54 HE2 LYS 11 1HE LYS 11 -5.339 -11.397 0.749
55 HE3 LYS 11 2HE LYS 11 -4.349 -10.019 0.271
56 HZ1 LYS 11 3HZ LYS 11 -3.185 -11.870 1.496
57 HZ2 LYS 11 1HZ LYS 11 -4.018 -11.375 2.882
58 HZ3 LYS 11 2HZ LYS 11 -2.949 -10.313 2.114
59 H SER 12 H SER 12 -7.681 -6.324 3.599
60 HA SER 12 HA SER 12 -6.826 -6.120 0.901
61 HB2 SER 12 1HB SER 12 -8.558 -4.769 -0.048
62 HB3 SER 12 2HB SER 12 -9.343 -6.194 0.634
63 HG SER 12 HG SER 12 -10.542 -4.614 1.453
64 H TYR 13 H TYR 13 -5.407 -4.500 0.775
65 HA TYR 13 HA TYR 13 -5.469 -2.453 2.891
66 HB2 TYR 13 1HB TYR 13 -3.081 -3.402 1.295
67 HB3 TYR 13 2HB TYR 13 -3.057 -2.267 2.641
68 HD1 TYR 13 HD2 TYR 13 -3.721 -3.111 4.938
69 HD2 TYR 13 HD1 TYR 13 -2.945 -5.720 1.668
70 HE1 TYR 13 HE2 TYR 13 -3.400 -4.975 6.509
71 HE2 TYR 13 HE1 TYR 13 -2.624 -7.592 3.230
72 HH TYR 13 HH TYR 13 -3.055 -7.161 6.727
73 H ASN 14 H ASN 14 -5.210 -0.304 2.369
74 HA ASN 14 HA ASN 14 -4.960 0.402 -0.463
75 HB2 ASN 14 1HB ASN 14 -7.032 1.754 1.249
76 HB3 ASN 14 2HB ASN 14 -6.891 1.741 -0.507
77 HD21 ASN 14 1HD2 ASN 14 -9.141 1.050 1.237
78 HD22 ASN 14 2HD2 ASN 14 -9.583 -0.566 0.815
79 H CYS 15 H CYS 15 -3.898 2.295 -0.856
80 HA CYS 15 HA CYS 15 -2.358 3.395 1.292
81 HB2 CYS 15 1HB CYS 15 -1.535 3.105 -1.069
82 HB3 CYS 15 2HB CYS 15 -2.590 4.434 -1.537
83 H ASN 16 H ASN 16 -3.113 4.841 2.679
84 HA ASN 16 HA ASN 16 -5.387 6.503 2.006
85 HB2 ASN 16 1HB ASN 16 -5.081 5.372 4.248
86 HB3 ASN 16 2HB ASN 16 -3.785 6.521 4.568
87 HD21 ASN 16 1HD2 ASN 16 -4.368 8.208 5.706
88 HD22 ASN 16 2HD2 ASN 16 -5.941 8.922 5.748
89 H GLU 17 H GLU 17 -2.907 6.975 0.576
90 HA GLU 17 HA GLU 17 -2.384 9.742 1.447
91 HB2 GLU 17 1HB GLU 17 -0.463 7.838 0.095
92 HB3 GLU 17 2HB GLU 17 -0.126 9.522 0.471
93 HG2 GLU 17 1HG GLU 17 -0.971 7.737 2.686
94 HG3 GLU 17 2HG GLU 17 0.659 7.556 2.041
95 H CYS 18 H CYS 18 -2.979 7.541 -1.198
96 HA CYS 18 HA CYS 18 -3.434 9.860 -2.953
97 HB2 CYS 18 1HB CYS 18 -2.695 8.396 -4.863
98 HB3 CYS 18 2HB CYS 18 -1.412 8.855 -3.748
99 H GLY 19 H GLY 19 -4.144 6.412 -2.434
100 HA2 GLY 19 1HA GLY 19 -6.566 5.902 -2.173
101 HA3 GLY 19 2HA GLY 19 -6.819 6.908 -3.591
102 H LYS 20 H LYS 20 -4.397 4.392 -2.934
103 HA LYS 20 HA LYS 20 -5.432 2.931 -5.276
104 HB2 LYS 20 1HB LYS 20 -3.075 4.088 -5.334
105 HB3 LYS 20 2HB LYS 20 -2.583 2.690 -4.386
106 HG2 LYS 20 1HG LYS 20 -3.501 1.236 -6.194
107 HG3 LYS 20 2HG LYS 20 -3.762 2.694 -7.154
108 HD2 LYS 20 1HD LYS 20 -1.265 3.164 -6.714
109 HD3 LYS 20 2HD LYS 20 -1.178 1.461 -6.256
110 HE2 LYS 20 1HE LYS 20 -2.398 2.312 -8.860
111 HE3 LYS 20 2HE LYS 20 -0.654 2.114 -8.694
112 HZ1 LYS 20 3HZ LYS 20 -0.830 -0.120 -8.528
113 HZ2 LYS 20 1HZ LYS 20 -2.246 0.143 -9.415
114 HZ3 LYS 20 2HZ LYS 20 -2.327 -0.074 -7.740
115 H ALA 21 H ALA 21 -6.093 0.915 -4.925
116 HA ALA 21 HA ALA 21 -5.610 -0.279 -2.303
117 HB1 ALA 21 3HB ALA 21 -7.851 -0.150 -3.941
118 HB2 ALA 21 1HB ALA 21 -7.314 -1.827 -4.049
119 HB3 ALA 21 2HB ALA 21 -7.665 -1.112 -2.475
120 H PHE 22 H PHE 22 -4.647 -2.259 -1.994
121 HA PHE 22 HA PHE 22 -3.446 -3.530 -4.362
122 HB2 PHE 22 1HB PHE 22 -2.096 -3.137 -1.683
123 HB3 PHE 22 2HB PHE 22 -1.403 -3.949 -3.083
124 HD1 PHE 22 HD1 PHE 22 -2.776 -0.671 -1.992
125 HD2 PHE 22 HD2 PHE 22 -0.138 -2.751 -4.606
126 HE1 PHE 22 HE1 PHE 22 -1.871 1.477 -2.782
127 HE2 PHE 22 HE2 PHE 22 0.772 -0.607 -5.399
128 HZ PHE 22 HZ PHE 22 -0.094 1.510 -4.486
129 H THR 23 H THR 23 -3.021 -5.789 -4.175
130 HA THR 23 HA THR 23 -4.992 -7.150 -2.552
131 HB THR 23 HB THR 23 -4.118 -9.209 -3.737
132 HG1 THR 23 HG1 THR 23 -2.832 -7.435 -5.513
133 HG21 THR 23 3HG2 THR 23 -5.642 -6.994 -4.775
134 HG22 THR 23 1HG2 THR 23 -5.883 -8.725 -5.012
135 HG23 THR 23 2HG2 THR 23 -4.799 -7.831 -6.078
136 H ARG 24 H ARG 24 -1.465 -7.055 -2.849
137 HA ARG 24 HA ARG 24 -1.137 -8.902 -0.635
138 HB2 ARG 24 1HB ARG 24 0.743 -7.509 -2.516
139 HB3 ARG 24 2HB ARG 24 1.350 -8.269 -1.051
140 HG2 ARG 24 1HG ARG 24 1.606 -9.990 -2.514
141 HG3 ARG 24 2HG ARG 24 -0.035 -10.322 -1.956
142 HD2 ARG 24 1HD ARG 24 -0.980 -9.321 -3.902
143 HD3 ARG 24 2HD ARG 24 0.586 -8.687 -4.406
144 HE ARG 24 HE ARG 24 1.059 -10.717 -5.344
145 HH11 ARG 24 1HH1 ARG 24 -1.593 -11.089 -3.119
146 HH12 ARG 24 2HH1 ARG 24 -1.910 -12.732 -3.569
147 HH21 ARG 24 1HH2 ARG 24 0.652 -12.879 -5.944
148 HH22 ARG 24 2HH2 ARG 24 -0.632 -13.750 -5.174
149 H ILE 25 H ILE 25 0.874 -8.074 0.843
150 HA ILE 25 HA ILE 25 -0.105 -5.576 2.051
151 HB ILE 25 HB ILE 25 -0.309 -7.404 3.583
152 HG12 ILE 25 1HG1 ILE 25 1.330 -6.693 5.380
153 HG13 ILE 25 2HG1 ILE 25 2.067 -5.635 4.181
154 HG21 ILE 25 1HG2 ILE 25 2.597 -7.973 3.014
155 HG22 ILE 25 2HG2 ILE 25 1.633 -8.767 4.259
156 HG23 ILE 25 3HG2 ILE 25 1.218 -8.972 2.557
157 HD11 ILE 25 3HD1 ILE 25 -0.256 -5.215 5.806
158 HD12 ILE 25 1HD1 ILE 25 0.621 -4.077 4.784
159 HD13 ILE 25 2HD1 ILE 25 -0.665 -5.070 4.097
160 H PHE 26 H PHE 26 2.696 -7.202 0.772
161 HA PHE 26 HA PHE 26 4.537 -5.166 1.693
162 HB2 PHE 26 1HB PHE 26 6.103 -6.517 0.090
163 HB3 PHE 26 2HB PHE 26 5.600 -7.226 1.620
164 HD1 PHE 26 HD1 PHE 26 3.804 -8.937 1.650
165 HD2 PHE 26 HD2 PHE 26 5.488 -7.481 -1.977
166 HE1 PHE 26 HE1 PHE 26 2.895 -10.884 0.451
167 HE2 PHE 26 HE2 PHE 26 4.582 -9.424 -3.182
168 HZ PHE 26 HZ PHE 26 3.283 -11.129 -1.969
169 H HIS 27 H HIS 27 2.752 -5.967 -1.193
170 HA HIS 27 HA HIS 27 4.183 -4.384 -3.033
171 HB2 HIS 27 1HB HIS 27 1.476 -5.619 -2.942
172 HB3 HIS 27 2HB HIS 27 1.751 -4.349 -4.131
173 HD2 HIS 27 HD2 HIS 27 4.956 -6.276 -3.832
174 HE1 HIS 27 HE1 HIS 27 2.760 -8.186 -6.919
175 HE2 HIS 27 HE2 HIS 27 4.977 -8.028 -5.735
176 H LEU 28 H LEU 28 1.883 -3.596 -0.573
177 HA LEU 28 HA LEU 28 1.277 -0.982 -1.649
178 HB2 LEU 28 1HB LEU 28 -0.522 -1.816 -0.480
179 HB3 LEU 28 2HB LEU 28 0.491 -2.533 0.771
180 HG LEU 28 HG LEU 28 0.883 -0.311 1.724
181 HD11 LEU 28 1HD1 LEU 28 0.182 1.639 0.811
182 HD12 LEU 28 2HD1 LEU 28 -1.242 0.912 0.068
183 HD13 LEU 28 3HD1 LEU 28 0.342 0.710 -0.679
184 HD21 LEU 28 3HD2 LEU 28 -0.900 -1.472 2.719
185 HD22 LEU 28 1HD2 LEU 28 -1.958 -1.206 1.333
186 HD23 LEU 28 2HD2 LEU 28 -1.533 0.141 2.389
187 H THR 29 H THR 29 3.289 -2.363 0.893
188 HA THR 29 HA THR 29 4.084 0.076 2.077
189 HB THR 29 HB THR 29 5.629 -2.522 2.005
190 HG1 THR 29 HG1 THR 29 4.540 -2.603 4.205
191 HG21 THR 29 3HG2 THR 29 5.755 -0.727 4.340
192 HG22 THR 29 1HG2 THR 29 6.528 -0.123 2.876
193 HG23 THR 29 2HG2 THR 29 7.028 -1.668 3.563
194 H ARG 30 H ARG 30 5.383 -1.830 -0.587
195 HA ARG 30 HA ARG 30 7.777 -0.324 -0.886
196 HB2 ARG 30 1HB ARG 30 8.094 -1.532 -2.931
197 HB3 ARG 30 2HB ARG 30 7.423 -2.647 -1.749
198 HG2 ARG 30 1HG ARG 30 5.406 -2.800 -2.829
199 HG3 ARG 30 2HG ARG 30 5.575 -1.219 -3.596
200 HD2 ARG 30 1HD ARG 30 5.900 -2.680 -5.365
201 HD3 ARG 30 2HD ARG 30 7.549 -2.311 -4.860
202 HE ARG 30 HE ARG 30 7.044 -4.524 -3.453
203 HH11 ARG 30 1HH1 ARG 30 6.510 -3.765 -6.809
204 HH12 ARG 30 2HH1 ARG 30 6.709 -5.400 -7.345
205 HH21 ARG 30 1HH2 ARG 30 7.307 -6.681 -4.147
206 HH22 ARG 30 2HH2 ARG 30 7.161 -7.058 -5.830
207 H HIS 31 H HIS 31 4.547 0.353 -1.603
208 HA HIS 31 HA HIS 31 5.144 2.154 -3.810
209 HB2 HIS 31 1HB HIS 31 3.109 1.170 -4.247
210 HB3 HIS 31 2HB HIS 31 2.660 1.091 -2.546
211 HD1 HIS 31 HD1 HIS 31 2.693 3.442 -5.475
212 HD2 HIS 31 HD2 HIS 31 1.240 3.271 -1.587
213 HE1 HIS 31 HE1 HIS 31 1.134 5.402 -5.254
214 H GLN 32 H GLN 32 3.634 2.405 -0.588
215 HA GLN 32 HA GLN 32 3.255 5.068 -0.342
216 HB2 GLN 32 1HB GLN 32 4.286 3.081 1.665
217 HB3 GLN 32 2HB GLN 32 3.998 4.758 2.109
218 HG2 GLN 32 1HG GLN 32 1.666 4.553 1.504
219 HG3 GLN 32 2HG GLN 32 1.932 2.900 0.953
220 HE21 GLN 32 1HE2 GLN 32 2.227 1.268 2.459
221 HE22 GLN 32 2HE2 GLN 32 1.842 1.471 4.131
222 H LYS 33 H LYS 33 6.301 3.465 -0.616
223 HA LYS 33 HA LYS 33 8.076 5.224 0.534
224 HB2 LYS 33 1HB LYS 33 8.296 3.590 -1.990
225 HB3 LYS 33 2HB LYS 33 9.646 4.519 -1.352
226 HG2 LYS 33 1HG LYS 33 9.359 3.238 0.799
227 HG3 LYS 33 2HG LYS 33 8.237 2.192 -0.075
228 HD2 LYS 33 1HD LYS 33 9.989 1.614 -1.664
229 HD3 LYS 33 2HD LYS 33 11.112 2.700 -0.843
230 HE2 LYS 33 1HE LYS 33 10.510 1.253 1.251
231 HE3 LYS 33 2HE LYS 33 10.021 0.065 0.043
232 HZ1 LYS 33 3HZ LYS 33 12.219 0.101 -0.886
233 HZ2 LYS 33 1HZ LYS 33 12.339 -0.195 0.775
234 HZ3 LYS 33 2HZ LYS 33 12.701 1.339 0.162
235 H ILE 34 H ILE 34 6.564 5.436 -2.663
236 HA ILE 34 HA ILE 34 7.929 7.654 -3.641
237 HB ILE 34 HB ILE 34 6.087 8.001 -5.157
238 HG12 ILE 34 1HG1 ILE 34 4.405 5.926 -3.825
239 HG13 ILE 34 2HG1 ILE 34 4.412 7.550 -3.146
240 HG21 ILE 34 1HG2 ILE 34 6.484 5.064 -4.597
241 HG22 ILE 34 2HG2 ILE 34 5.871 5.750 -6.101
242 HG23 ILE 34 3HG2 ILE 34 7.525 6.086 -5.589
243 HD11 ILE 34 3HD1 ILE 34 4.059 7.978 -5.845
244 HD12 ILE 34 1HD1 ILE 34 3.104 6.532 -5.518
245 HD13 ILE 34 2HD1 ILE 34 2.807 8.011 -4.604
246 H HIS 35 H HIS 35 5.557 7.437 -1.156
247 HA HIS 35 HA HIS 35 4.850 10.245 -1.259
248 HB2 HIS 35 1HB HIS 35 4.140 8.058 0.704
249 HB3 HIS 35 2HB HIS 35 3.534 9.709 0.800
250 HD1 HIS 35 HD1 HIS 35 1.500 10.250 -0.553
251 HD2 HIS 35 HD2 HIS 35 3.228 6.637 -1.659
252 HE1 HIS 35 HE1 HIS 35 -0.110 9.204 -2.177
253 H THR 36 H THR 36 6.924 11.185 -0.968
254 HA THR 36 HA THR 36 8.006 10.921 1.761
255 HB THR 36 HB THR 36 10.126 11.879 0.785
256 HG1 THR 36 HG1 THR 36 10.160 12.385 -1.270
257 HG21 THR 36 3HG2 THR 36 10.117 9.556 1.234
258 HG22 THR 36 1HG2 THR 36 10.733 9.719 -0.410
259 HG23 THR 36 2HG2 THR 36 9.064 9.217 -0.140
260 H ARG 37 H ARG 37 5.794 12.657 0.824
261 HA ARG 37 HA ARG 37 6.997 15.307 1.241
262 HB2 ARG 37 1HB ARG 37 4.486 14.379 -0.103
263 HB3 ARG 37 2HB ARG 37 4.579 16.017 0.531
264 HG2 ARG 37 1HG ARG 37 5.152 16.067 -1.784
265 HG3 ARG 37 2HG ARG 37 6.616 16.371 -0.846
266 HD2 ARG 37 1HD ARG 37 7.205 13.972 -1.093
267 HD3 ARG 37 2HD ARG 37 5.802 13.774 -2.143
268 HE ARG 37 HE ARG 37 8.310 15.055 -2.803
269 HH11 ARG 37 1HH1 ARG 37 4.962 14.600 -3.640
270 HH12 ARG 37 2HH1 ARG 37 5.181 15.048 -5.300
271 HH21 ARG 37 1HH2 ARG 37 8.612 15.646 -4.985
272 HH22 ARG 37 2HH2 ARG 37 7.258 15.642 -6.064
273 H LYS 38 H LYS 38 4.373 13.192 2.326
274 HA LYS 38 HA LYS 38 4.326 14.685 4.858
275 HB2 LYS 38 1HB LYS 38 1.897 13.633 3.396
276 HB3 LYS 38 2HB LYS 38 1.889 14.414 4.972
277 HG2 LYS 38 1HG LYS 38 2.831 15.743 2.442
278 HG3 LYS 38 2HG LYS 38 1.193 15.877 3.085
279 HD2 LYS 38 1HD LYS 38 2.291 16.685 5.244
280 HD3 LYS 38 2HD LYS 38 3.764 16.869 4.287
281 HE2 LYS 38 1HE LYS 38 2.466 18.316 2.718
282 HE3 LYS 38 2HE LYS 38 1.114 18.236 3.845
283 HZ1 LYS 38 3HZ LYS 38 3.785 19.433 4.314
284 HZ2 LYS 38 1HZ LYS 38 2.667 19.153 5.554
285 HZ3 LYS 38 2HZ LYS 38 2.287 20.221 4.298
286 H SER 39 H SER 39 4.814 13.399 6.499
287 HA SER 39 HA SER 39 3.874 10.621 6.468
288 HB2 SER 39 1HB SER 39 6.712 11.545 6.902
289 HB3 SER 39 2HB SER 39 6.135 9.987 7.491
290 HG SER 39 HG SER 39 5.355 9.926 5.091
291 H GLY 40 H GLY 40 3.788 9.627 8.582
292 HA2 GLY 40 1HA GLY 40 3.022 11.552 10.610
293 HA3 GLY 40 2HA GLY 40 2.818 9.809 10.693
294 HA PRO 41 HA PRO 41 6.672 11.464 13.043
295 HB2 PRO 41 1HB PRO 41 5.615 11.871 15.511
296 HB3 PRO 41 2HB PRO 41 5.720 13.144 14.289
297 HG2 PRO 41 1HG PRO 41 3.382 11.435 15.048
298 HG3 PRO 41 2HG PRO 41 3.434 13.176 14.713
299 HD2 PRO 41 1HD PRO 41 2.577 11.365 12.891
300 HD3 PRO 41 2HD PRO 41 3.410 12.863 12.429
301 H SER 42 H SER 42 7.858 9.765 13.617
302 HA SER 42 HA SER 42 6.791 7.237 14.226
303 HB2 SER 42 1HB SER 42 9.532 8.443 14.364
304 HB3 SER 42 2HB SER 42 9.249 6.847 15.058
305 HG SER 42 HG SER 42 9.679 7.435 12.536
306 H SER 43 H SER 43 8.295 9.689 16.313
307 HA SER 43 HA SER 43 8.353 9.934 18.581
308 HB2 SER 43 1HB SER 43 5.560 8.913 18.093
309 HB3 SER 43 2HB SER 43 6.111 9.359 19.708
310 HG SER 43 HG SER 43 5.508 10.954 17.536
311 H GLY 44 H GLY 44 9.643 7.627 17.731
312 HA2 GLY 44 1HA GLY 44 10.620 5.781 18.702
313 HA3 GLY 44 2HA GLY 44 9.693 6.124 20.155
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -18.270 -2.957 18.407
2 HA2 GLY 1 1HA GLY 1 -18.037 -5.526 18.648
3 HA3 GLY 1 2HA GLY 1 -19.423 -4.768 19.417
4 H SER 2 H SER 2 -21.446 -4.713 18.212
5 HA SER 2 HA SER 2 -21.640 -6.900 16.246
6 HB2 SER 2 1HB SER 2 -23.747 -7.583 17.208
7 HB3 SER 2 2HB SER 2 -22.548 -7.518 18.499
8 HG SER 2 HG SER 2 -23.442 -5.647 19.238
9 H SER 3 H SER 3 -22.405 -6.275 14.348
10 HA SER 3 HA SER 3 -24.112 -3.874 14.240
11 HB2 SER 3 1HB SER 3 -21.837 -4.753 12.502
12 HB3 SER 3 2HB SER 3 -23.139 -3.796 11.795
13 HG SER 3 HG SER 3 -22.360 -2.103 12.752
14 H GLY 4 H GLY 4 -23.270 -6.790 12.359
15 HA2 GLY 4 1HA GLY 4 -25.419 -8.244 12.177
16 HA3 GLY 4 2HA GLY 4 -26.016 -6.833 11.316
17 H SER 5 H SER 5 -26.205 -7.554 9.274
18 HA SER 5 HA SER 5 -24.715 -9.452 7.965
19 HB2 SER 5 1HB SER 5 -25.554 -8.549 5.899
20 HB3 SER 5 2HB SER 5 -26.811 -8.346 7.119
21 HG SER 5 HG SER 5 -25.584 -6.166 7.347
22 H SER 6 H SER 6 -22.792 -9.553 6.938
23 HA SER 6 HA SER 6 -21.142 -7.110 6.936
24 HB2 SER 6 1HB SER 6 -20.309 -8.716 8.573
25 HB3 SER 6 2HB SER 6 -20.266 -9.980 7.345
26 HG SER 6 HG SER 6 -18.677 -7.642 7.500
27 H GLY 7 H GLY 7 -19.471 -7.017 5.263
28 HA2 GLY 7 1HA GLY 7 -20.492 -8.154 2.755
29 HA3 GLY 7 2HA GLY 7 -19.437 -6.755 2.894
30 H THR 8 H THR 8 -17.417 -7.083 2.280
31 HA THR 8 HA THR 8 -16.429 -9.678 1.668
32 HB THR 8 HB THR 8 -14.887 -7.084 1.865
33 HG1 THR 8 HG1 THR 8 -16.560 -6.930 0.336
34 HG21 THR 8 3HG2 THR 8 -14.116 -9.806 1.244
35 HG22 THR 8 1HG2 THR 8 -13.107 -8.383 1.498
36 HG23 THR 8 2HG2 THR 8 -13.780 -8.714 -0.098
37 H ASP 9 H ASP 9 -15.470 -11.099 2.957
38 HA ASP 9 HA ASP 9 -14.855 -10.412 5.686
39 HB2 ASP 9 1HB ASP 9 -14.927 -12.931 4.081
40 HB3 ASP 9 2HB ASP 9 -14.011 -12.917 5.585
41 H SER 10 H SER 10 -13.017 -11.519 2.856
42 HA SER 10 HA SER 10 -10.494 -11.519 4.123
43 HB2 SER 10 1HB SER 10 -11.093 -11.150 1.179
44 HB3 SER 10 2HB SER 10 -9.560 -11.671 1.879
45 HG SER 10 HG SER 10 -11.146 -13.373 2.854
46 H LYS 11 H LYS 11 -9.488 -9.818 4.942
47 HA LYS 11 HA LYS 11 -10.125 -7.175 4.699
48 HB2 LYS 11 1HB LYS 11 -8.023 -6.654 5.652
49 HB3 LYS 11 2HB LYS 11 -8.443 -8.245 6.272
50 HG2 LYS 11 1HG LYS 11 -6.743 -8.000 3.830
51 HG3 LYS 11 2HG LYS 11 -6.036 -7.779 5.432
52 HD2 LYS 11 1HD LYS 11 -7.651 -10.196 4.635
53 HD3 LYS 11 2HD LYS 11 -5.892 -10.113 4.520
54 HE2 LYS 11 1HE LYS 11 -5.852 -9.568 6.966
55 HE3 LYS 11 2HE LYS 11 -7.582 -9.903 7.007
56 HZ1 LYS 11 3HZ LYS 11 -5.447 -11.824 6.253
57 HZ2 LYS 11 1HZ LYS 11 -7.106 -12.154 6.221
58 HZ3 LYS 11 2HZ LYS 11 -6.335 -11.833 7.692
59 H SER 12 H SER 12 -8.585 -5.440 3.747
60 HA SER 12 HA SER 12 -7.445 -6.119 1.176
61 HB2 SER 12 1HB SER 12 -9.902 -4.370 1.402
62 HB3 SER 12 2HB SER 12 -8.870 -4.428 -0.026
63 HG SER 12 HG SER 12 -10.425 -5.901 -0.423
64 H TYR 13 H TYR 13 -5.541 -5.140 1.360
65 HA TYR 13 HA TYR 13 -5.163 -2.766 2.914
66 HB2 TYR 13 1HB TYR 13 -3.157 -3.867 0.962
67 HB3 TYR 13 2HB TYR 13 -2.866 -3.012 2.472
68 HD1 TYR 13 HD2 TYR 13 -3.294 -4.186 4.644
69 HD2 TYR 13 HD1 TYR 13 -3.384 -6.226 0.911
70 HE1 TYR 13 HE2 TYR 13 -3.057 -6.333 5.818
71 HE2 TYR 13 HE1 TYR 13 -3.148 -8.379 2.076
72 HH TYR 13 HH TYR 13 -2.084 -8.743 5.070
73 H ASN 14 H ASN 14 -4.664 -0.698 2.218
74 HA ASN 14 HA ASN 14 -4.539 -0.052 -0.584
75 HB2 ASN 14 1HB ASN 14 -6.518 1.626 -0.236
76 HB3 ASN 14 2HB ASN 14 -6.860 -0.053 -0.641
77 HD21 ASN 14 1HD2 ASN 14 -8.859 -0.107 0.291
78 HD22 ASN 14 2HD2 ASN 14 -9.114 -0.015 1.997
79 H CYS 15 H CYS 15 -3.790 2.044 -0.977
80 HA CYS 15 HA CYS 15 -2.281 3.198 1.158
81 HB2 CYS 15 1HB CYS 15 -1.465 3.176 -1.169
82 HB3 CYS 15 2HB CYS 15 -2.787 4.241 -1.638
83 H ASN 16 H ASN 16 -2.746 4.883 2.438
84 HA ASN 16 HA ASN 16 -5.354 6.176 2.076
85 HB2 ASN 16 1HB ASN 16 -4.646 6.998 4.518
86 HB3 ASN 16 2HB ASN 16 -5.407 5.434 4.241
87 HD21 ASN 16 1HD2 ASN 16 -2.936 6.950 5.763
88 HD22 ASN 16 2HD2 ASN 16 -1.857 5.617 5.969
89 H GLU 17 H GLU 17 -2.801 6.860 0.658
90 HA GLU 17 HA GLU 17 -2.584 9.665 1.537
91 HB2 GLU 17 1HB GLU 17 -0.540 7.936 0.136
92 HB3 GLU 17 2HB GLU 17 -0.349 9.658 0.431
93 HG2 GLU 17 1HG GLU 17 -0.782 8.982 2.915
94 HG3 GLU 17 2HG GLU 17 -0.282 7.387 2.354
95 H CYS 18 H CYS 18 -2.593 7.523 -1.290
96 HA CYS 18 HA CYS 18 -3.399 9.821 -2.946
97 HB2 CYS 18 1HB CYS 18 -2.618 8.471 -4.879
98 HB3 CYS 18 2HB CYS 18 -1.334 8.826 -3.729
99 H GLY 19 H GLY 19 -3.997 6.354 -2.421
100 HA2 GLY 19 1HA GLY 19 -6.393 5.765 -2.121
101 HA3 GLY 19 2HA GLY 19 -6.706 6.772 -3.527
102 H LYS 20 H LYS 20 -4.237 4.290 -2.894
103 HA LYS 20 HA LYS 20 -5.204 2.874 -5.291
104 HB2 LYS 20 1HB LYS 20 -2.910 3.935 -5.423
105 HB3 LYS 20 2HB LYS 20 -2.394 2.790 -4.192
106 HG2 LYS 20 1HG LYS 20 -2.959 0.935 -5.677
107 HG3 LYS 20 2HG LYS 20 -3.478 2.083 -6.912
108 HD2 LYS 20 1HD LYS 20 -1.116 3.062 -6.722
109 HD3 LYS 20 2HD LYS 20 -0.710 1.574 -5.863
110 HE2 LYS 20 1HE LYS 20 -1.876 1.740 -8.641
111 HE3 LYS 20 2HE LYS 20 -0.182 1.435 -8.258
112 HZ1 LYS 20 3HZ LYS 20 -0.616 -0.703 -7.944
113 HZ2 LYS 20 1HZ LYS 20 -2.182 -0.438 -8.529
114 HZ3 LYS 20 2HZ LYS 20 -1.877 -0.368 -6.867
115 H ALA 21 H ALA 21 -6.193 1.034 -4.820
116 HA ALA 21 HA ALA 21 -5.732 -0.285 -2.277
117 HB1 ALA 21 3HB ALA 21 -7.498 -1.881 -3.598
118 HB2 ALA 21 1HB ALA 21 -7.941 -0.512 -2.579
119 HB3 ALA 21 2HB ALA 21 -7.824 -0.309 -4.327
120 H PHE 22 H PHE 22 -4.266 -1.824 -2.018
121 HA PHE 22 HA PHE 22 -3.249 -3.232 -4.381
122 HB2 PHE 22 1HB PHE 22 -2.080 -3.083 -1.595
123 HB3 PHE 22 2HB PHE 22 -1.315 -3.808 -3.006
124 HD1 PHE 22 HD1 PHE 22 -2.764 -0.564 -1.878
125 HD2 PHE 22 HD2 PHE 22 0.188 -2.554 -4.211
126 HE1 PHE 22 HE1 PHE 22 -1.744 1.606 -2.431
127 HE2 PHE 22 HE2 PHE 22 1.213 -0.387 -4.767
128 HZ PHE 22 HZ PHE 22 0.248 1.696 -3.876
129 H THR 23 H THR 23 -2.736 -5.538 -4.157
130 HA THR 23 HA THR 23 -4.937 -6.930 -2.865
131 HB THR 23 HB THR 23 -4.031 -8.939 -4.061
132 HG1 THR 23 HG1 THR 23 -1.854 -7.667 -4.220
133 HG21 THR 23 3HG2 THR 23 -5.777 -7.412 -5.013
134 HG22 THR 23 1HG2 THR 23 -4.832 -8.284 -6.220
135 HG23 THR 23 2HG2 THR 23 -4.490 -6.585 -5.891
136 H ARG 24 H ARG 24 -1.465 -6.596 -2.582
137 HA ARG 24 HA ARG 24 -1.480 -8.508 -0.344
138 HB2 ARG 24 1HB ARG 24 0.910 -7.502 -1.895
139 HB3 ARG 24 2HB ARG 24 0.900 -8.778 -0.686
140 HG2 ARG 24 1HG ARG 24 -0.646 -8.938 -3.259
141 HG3 ARG 24 2HG ARG 24 1.004 -9.538 -3.074
142 HD2 ARG 24 1HD ARG 24 -1.216 -10.402 -1.246
143 HD3 ARG 24 2HD ARG 24 -0.910 -11.210 -2.783
144 HE ARG 24 HE ARG 24 0.657 -11.400 -0.379
145 HH11 ARG 24 1HH1 ARG 24 0.668 -11.733 -3.844
146 HH12 ARG 24 2HH1 ARG 24 2.009 -12.830 -3.865
147 HH21 ARG 24 1HH2 ARG 24 2.423 -12.843 -0.393
148 HH22 ARG 24 2HH2 ARG 24 3.006 -13.461 -1.901
149 H ILE 25 H ILE 25 0.568 -7.868 1.153
150 HA ILE 25 HA ILE 25 -0.104 -5.200 2.149
151 HB ILE 25 HB ILE 25 -0.273 -6.968 3.787
152 HG12 ILE 25 1HG1 ILE 25 1.336 -6.104 5.495
153 HG13 ILE 25 2HG1 ILE 25 2.145 -5.201 4.219
154 HG21 ILE 25 1HG2 ILE 25 1.106 -8.708 3.854
155 HG22 ILE 25 2HG2 ILE 25 1.961 -8.024 2.472
156 HG23 ILE 25 3HG2 ILE 25 2.497 -7.655 4.111
157 HD11 ILE 25 3HD1 ILE 25 0.532 -3.630 4.127
158 HD12 ILE 25 1HD1 ILE 25 -0.760 -4.773 4.491
159 HD13 ILE 25 2HD1 ILE 25 0.263 -4.155 5.789
160 H PHE 26 H PHE 26 2.559 -7.067 0.874
161 HA PHE 26 HA PHE 26 4.579 -5.149 1.554
162 HB2 PHE 26 1HB PHE 26 6.073 -6.525 0.233
163 HB3 PHE 26 2HB PHE 26 5.061 -7.567 1.229
164 HD1 PHE 26 HD2 PHE 26 5.320 -6.142 -2.194
165 HD2 PHE 26 HD1 PHE 26 3.874 -9.304 0.261
166 HE1 PHE 26 HE2 PHE 26 4.627 -7.381 -4.203
167 HE2 PHE 26 HE1 PHE 26 3.180 -10.549 -1.745
168 HZ PHE 26 HZ PHE 26 3.555 -9.587 -3.980
169 H HIS 27 H HIS 27 2.737 -5.954 -1.357
170 HA HIS 27 HA HIS 27 4.027 -4.277 -3.168
171 HB2 HIS 27 1HB HIS 27 2.339 -5.977 -3.793
172 HB3 HIS 27 2HB HIS 27 1.081 -4.965 -3.090
173 HD2 HIS 27 HD2 HIS 27 3.681 -3.056 -5.198
174 HE1 HIS 27 HE1 HIS 27 0.204 -3.546 -7.579
175 HE2 HIS 27 HE2 HIS 27 2.481 -2.482 -7.417
176 H LEU 28 H LEU 28 1.833 -3.534 -0.594
177 HA LEU 28 HA LEU 28 1.215 -0.885 -1.568
178 HB2 LEU 28 1HB LEU 28 -0.528 -1.781 -0.336
179 HB3 LEU 28 2HB LEU 28 0.550 -2.464 0.879
180 HG LEU 28 HG LEU 28 0.961 -0.184 1.745
181 HD11 LEU 28 1HD1 LEU 28 -1.239 0.651 -0.137
182 HD12 LEU 28 2HD1 LEU 28 0.472 1.002 -0.375
183 HD13 LEU 28 3HD1 LEU 28 -0.379 1.671 1.017
184 HD21 LEU 28 3HD2 LEU 28 -1.867 -0.073 2.019
185 HD22 LEU 28 1HD2 LEU 28 -0.668 -0.666 3.169
186 HD23 LEU 28 2HD2 LEU 28 -1.376 -1.768 1.987
187 H THR 29 H THR 29 3.257 -2.328 0.933
188 HA THR 29 HA THR 29 4.155 0.069 2.098
189 HB THR 29 HB THR 29 5.649 -2.555 1.921
190 HG1 THR 29 HG1 THR 29 4.069 -3.218 3.160
191 HG21 THR 29 3HG2 THR 29 6.566 -1.690 4.147
192 HG22 THR 29 1HG2 THR 29 5.954 -0.113 3.651
193 HG23 THR 29 2HG2 THR 29 7.175 -0.931 2.677
194 H ARG 30 H ARG 30 5.413 -1.862 -0.585
195 HA ARG 30 HA ARG 30 7.774 -0.334 -0.961
196 HB2 ARG 30 1HB ARG 30 8.085 -1.576 -2.962
197 HB3 ARG 30 2HB ARG 30 7.345 -2.678 -1.808
198 HG2 ARG 30 1HG ARG 30 5.380 -2.791 -2.958
199 HG3 ARG 30 2HG ARG 30 5.563 -1.177 -3.647
200 HD2 ARG 30 1HD ARG 30 5.878 -2.627 -5.458
201 HD3 ARG 30 2HD ARG 30 7.509 -2.158 -4.978
202 HE ARG 30 HE ARG 30 6.731 -4.543 -3.666
203 HH11 ARG 30 1HH1 ARG 30 7.752 -3.316 -6.760
204 HH12 ARG 30 2HH1 ARG 30 8.445 -4.818 -7.274
205 HH21 ARG 30 1HH2 ARG 30 7.640 -6.527 -4.332
206 HH22 ARG 30 2HH2 ARG 30 8.380 -6.644 -5.892
207 H HIS 31 H HIS 31 4.553 0.400 -1.509
208 HA HIS 31 HA HIS 31 5.037 2.133 -3.797
209 HB2 HIS 31 1HB HIS 31 2.952 1.160 -4.035
210 HB3 HIS 31 2HB HIS 31 2.612 1.215 -2.308
211 HD1 HIS 31 HD1 HIS 31 2.745 3.502 -5.320
212 HD2 HIS 31 HD2 HIS 31 1.135 3.367 -1.492
213 HE1 HIS 31 HE1 HIS 31 1.226 5.499 -5.159
214 H GLN 32 H GLN 32 3.926 2.453 -0.430
215 HA GLN 32 HA GLN 32 3.599 5.157 -0.241
216 HB2 GLN 32 1HB GLN 32 4.891 3.360 1.818
217 HB3 GLN 32 2HB GLN 32 4.219 4.953 2.139
218 HG2 GLN 32 1HG GLN 32 2.041 4.234 1.880
219 HG3 GLN 32 2HG GLN 32 2.510 2.829 0.925
220 HE21 GLN 32 1HE2 GLN 32 0.868 2.044 2.637
221 HE22 GLN 32 2HE2 GLN 32 1.565 1.375 4.069
222 H LYS 33 H LYS 33 6.522 3.458 -0.809
223 HA LYS 33 HA LYS 33 8.483 5.091 0.219
224 HB2 LYS 33 1HB LYS 33 8.432 3.655 -2.440
225 HB3 LYS 33 2HB LYS 33 9.876 4.361 -1.728
226 HG2 LYS 33 1HG LYS 33 9.559 2.871 0.238
227 HG3 LYS 33 2HG LYS 33 8.231 2.094 -0.628
228 HD2 LYS 33 1HD LYS 33 9.625 1.069 -2.122
229 HD3 LYS 33 2HD LYS 33 10.846 2.339 -2.020
230 HE2 LYS 33 1HE LYS 33 10.267 0.293 0.120
231 HE3 LYS 33 2HE LYS 33 11.605 0.218 -1.025
232 HZ1 LYS 33 3HZ LYS 33 12.357 2.386 -0.110
233 HZ2 LYS 33 1HZ LYS 33 12.418 1.114 1.004
234 HZ3 LYS 33 2HZ LYS 33 11.171 2.254 1.088
235 H ILE 34 H ILE 34 6.487 5.595 -2.629
236 HA ILE 34 HA ILE 34 7.941 7.888 -3.546
237 HB ILE 34 HB ILE 34 6.165 8.195 -5.147
238 HG12 ILE 34 1HG1 ILE 34 4.587 5.907 -4.057
239 HG13 ILE 34 2HG1 ILE 34 4.421 7.477 -3.278
240 HG21 ILE 34 1HG2 ILE 34 7.385 5.568 -4.699
241 HG22 ILE 34 2HG2 ILE 34 5.986 5.554 -5.770
242 HG23 ILE 34 3HG2 ILE 34 7.370 6.583 -6.141
243 HD11 ILE 34 3HD1 ILE 34 2.693 7.219 -4.910
244 HD12 ILE 34 1HD1 ILE 34 3.826 8.447 -5.473
245 HD13 ILE 34 2HD1 ILE 34 3.872 6.823 -6.160
246 H HIS 35 H HIS 35 5.500 7.327 -1.200
247 HA HIS 35 HA HIS 35 4.547 10.065 -1.184
248 HB2 HIS 35 1HB HIS 35 3.906 7.615 0.443
249 HB3 HIS 35 2HB HIS 35 3.312 9.206 0.911
250 HD1 HIS 35 HD1 HIS 35 2.247 10.424 -1.531
251 HD2 HIS 35 HD2 HIS 35 1.917 6.340 -0.845
252 HE1 HIS 35 HE1 HIS 35 0.333 9.653 -2.969
253 H THR 36 H THR 36 6.196 7.925 1.145
254 HA THR 36 HA THR 36 6.782 9.976 2.999
255 HB THR 36 HB THR 36 6.777 7.550 3.562
256 HG1 THR 36 HG1 THR 36 8.650 7.721 4.924
257 HG21 THR 36 3HG2 THR 36 8.565 6.118 2.970
258 HG22 THR 36 1HG2 THR 36 9.518 7.451 2.319
259 HG23 THR 36 2HG2 THR 36 8.071 6.906 1.471
260 H ARG 37 H ARG 37 8.335 11.470 3.033
261 HA ARG 37 HA ARG 37 10.165 11.671 0.819
262 HB2 ARG 37 1HB ARG 37 8.972 13.615 1.945
263 HB3 ARG 37 2HB ARG 37 10.102 13.417 3.277
264 HG2 ARG 37 1HG ARG 37 10.915 15.157 1.874
265 HG3 ARG 37 2HG ARG 37 11.963 13.754 1.656
266 HD2 ARG 37 1HD ARG 37 10.855 13.193 -0.412
267 HD3 ARG 37 2HD ARG 37 9.678 14.484 -0.170
268 HE ARG 37 HE ARG 37 12.170 15.682 -0.158
269 HH11 ARG 37 1HH1 ARG 37 10.230 13.827 -2.375
270 HH12 ARG 37 2HH1 ARG 37 10.895 14.576 -3.789
271 HH21 ARG 37 1HH2 ARG 37 13.053 16.676 -2.011
272 HH22 ARG 37 2HH2 ARG 37 12.501 16.196 -3.581
273 H LYS 38 H LYS 38 10.744 9.357 2.131
274 HA LYS 38 HA LYS 38 12.461 8.160 3.019
275 HB2 LYS 38 1HB LYS 38 14.199 10.601 2.766
276 HB3 LYS 38 2HB LYS 38 14.660 8.910 2.628
277 HG2 LYS 38 1HG LYS 38 13.962 8.748 0.467
278 HG3 LYS 38 2HG LYS 38 12.713 9.980 0.661
279 HD2 LYS 38 1HD LYS 38 15.660 10.601 0.690
280 HD3 LYS 38 2HD LYS 38 14.682 10.628 -0.780
281 HE2 LYS 38 1HE LYS 38 14.519 12.822 -0.175
282 HE3 LYS 38 2HE LYS 38 13.137 12.174 0.707
283 HZ1 LYS 38 3HZ LYS 38 15.550 12.002 2.222
284 HZ2 LYS 38 1HZ LYS 38 14.067 12.704 2.637
285 HZ3 LYS 38 2HZ LYS 38 15.213 13.597 1.770
286 H SER 39 H SER 39 10.747 9.345 4.849
287 HA SER 39 HA SER 39 11.778 10.899 6.859
288 HB2 SER 39 1HB SER 39 9.867 8.566 7.005
289 HB3 SER 39 2HB SER 39 10.234 9.584 8.398
290 HG SER 39 HG SER 39 8.536 10.589 7.538
291 H GLY 40 H GLY 40 12.452 7.543 6.162
292 HA2 GLY 40 1HA GLY 40 14.020 7.287 8.629
293 HA3 GLY 40 2HA GLY 40 13.570 5.972 7.553
294 HA PRO 41 HA PRO 41 18.022 7.050 6.793
295 HB2 PRO 41 1HB PRO 41 18.907 4.484 6.879
296 HB3 PRO 41 2HB PRO 41 18.749 5.495 8.321
297 HG2 PRO 41 1HG PRO 41 16.892 3.397 7.265
298 HG3 PRO 41 2HG PRO 41 17.406 3.699 8.935
299 HD2 PRO 41 1HD PRO 41 15.014 4.529 7.974
300 HD3 PRO 41 2HD PRO 41 15.908 5.428 9.217
301 H SER 42 H SER 42 15.514 5.508 5.233
302 HA SER 42 HA SER 42 16.347 3.999 3.199
303 HB2 SER 42 1HB SER 42 14.038 4.930 3.460
304 HB3 SER 42 2HB SER 42 14.610 6.435 2.739
305 HG SER 42 HG SER 42 15.339 4.913 0.964
306 H SER 43 H SER 43 18.033 4.051 1.886
307 HA SER 43 HA SER 43 19.832 6.078 1.538
308 HB2 SER 43 1HB SER 43 19.061 3.764 -0.213
309 HB3 SER 43 2HB SER 43 20.268 4.924 -0.765
310 HG SER 43 HG SER 43 20.607 2.889 0.888
311 H GLY 44 H GLY 44 20.100 7.817 0.205
312 HA2 GLY 44 1HA GLY 44 17.733 8.995 -0.889
313 HA3 GLY 44 2HA GLY 44 19.358 9.660 -0.966
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -35.555 -12.360 2.949
2 HA2 GLY 1 1HA GLY 1 -34.335 -13.916 5.145
3 HA3 GLY 1 2HA GLY 1 -33.568 -13.769 3.571
4 H SER 2 H SER 2 -33.939 -12.404 6.659
5 HA SER 2 HA SER 2 -32.468 -9.996 5.807
6 HB2 SER 2 1HB SER 2 -34.575 -10.397 7.901
7 HB3 SER 2 2HB SER 2 -33.377 -9.119 8.107
8 HG SER 2 HG SER 2 -34.631 -9.300 5.628
9 H SER 3 H SER 3 -30.450 -11.035 6.004
10 HA SER 3 HA SER 3 -29.615 -11.480 8.794
11 HB2 SER 3 1HB SER 3 -29.015 -13.112 6.341
12 HB3 SER 3 2HB SER 3 -27.904 -13.109 7.710
13 HG SER 3 HG SER 3 -29.418 -14.044 8.962
14 H GLY 4 H GLY 4 -29.446 -9.002 7.561
15 HA2 GLY 4 1HA GLY 4 -27.936 -7.294 7.283
16 HA3 GLY 4 2HA GLY 4 -26.714 -8.381 7.924
17 H SER 5 H SER 5 -27.435 -6.532 5.350
18 HA SER 5 HA SER 5 -26.164 -8.346 3.412
19 HB2 SER 5 1HB SER 5 -28.117 -6.104 3.148
20 HB3 SER 5 2HB SER 5 -26.990 -6.383 1.820
21 HG SER 5 HG SER 5 -27.815 -8.731 2.295
22 H SER 6 H SER 6 -24.033 -8.003 4.095
23 HA SER 6 HA SER 6 -22.994 -5.273 3.742
24 HB2 SER 6 1HB SER 6 -22.070 -7.610 5.389
25 HB3 SER 6 2HB SER 6 -20.937 -6.337 4.935
26 HG SER 6 HG SER 6 -22.839 -6.324 6.848
27 H GLY 7 H GLY 7 -23.576 -6.771 1.458
28 HA2 GLY 7 1HA GLY 7 -22.627 -7.765 -0.414
29 HA3 GLY 7 2HA GLY 7 -21.501 -6.431 -0.209
30 H THR 8 H THR 8 -19.423 -6.897 0.132
31 HA THR 8 HA THR 8 -18.662 -9.427 1.352
32 HB THR 8 HB THR 8 -17.636 -8.670 -1.390
33 HG1 THR 8 HG1 THR 8 -18.760 -10.877 -1.724
34 HG21 THR 8 3HG2 THR 8 -16.377 -10.673 -1.336
35 HG22 THR 8 1HG2 THR 8 -17.200 -11.241 0.116
36 HG23 THR 8 2HG2 THR 8 -16.080 -9.882 0.212
37 H ASP 9 H ASP 9 -17.159 -8.975 2.808
38 HA ASP 9 HA ASP 9 -15.180 -6.883 2.200
39 HB2 ASP 9 1HB ASP 9 -16.868 -6.013 3.787
40 HB3 ASP 9 2HB ASP 9 -16.492 -7.335 4.889
41 H SER 10 H SER 10 -13.180 -7.642 2.258
42 HA SER 10 HA SER 10 -12.484 -9.726 4.196
43 HB2 SER 10 1HB SER 10 -11.861 -9.864 1.236
44 HB3 SER 10 2HB SER 10 -11.214 -10.960 2.457
45 HG SER 10 HG SER 10 -13.598 -11.270 2.945
46 H LYS 11 H LYS 11 -9.992 -10.111 4.053
47 HA LYS 11 HA LYS 11 -8.704 -7.785 4.854
48 HB2 LYS 11 1HB LYS 11 -6.686 -9.049 4.882
49 HB3 LYS 11 2HB LYS 11 -7.983 -10.158 5.307
50 HG2 LYS 11 1HG LYS 11 -7.963 -11.125 3.119
51 HG3 LYS 11 2HG LYS 11 -6.823 -9.908 2.542
52 HD2 LYS 11 1HD LYS 11 -5.303 -10.806 4.450
53 HD3 LYS 11 2HD LYS 11 -6.357 -12.221 4.384
54 HE2 LYS 11 1HE LYS 11 -5.032 -11.089 1.936
55 HE3 LYS 11 2HE LYS 11 -4.238 -12.276 2.968
56 HZ1 LYS 11 3HZ LYS 11 -6.933 -12.954 2.152
57 HZ2 LYS 11 1HZ LYS 11 -5.546 -13.921 2.225
58 HZ3 LYS 11 2HZ LYS 11 -5.799 -12.905 0.898
59 H SER 12 H SER 12 -7.524 -6.236 3.860
60 HA SER 12 HA SER 12 -6.392 -6.456 1.285
61 HB2 SER 12 1HB SER 12 -9.147 -5.311 1.475
62 HB3 SER 12 2HB SER 12 -8.007 -4.581 0.345
63 HG SER 12 HG SER 12 -8.964 -6.165 -0.803
64 H TYR 13 H TYR 13 -4.772 -5.047 1.224
65 HA TYR 13 HA TYR 13 -4.740 -2.863 3.161
66 HB2 TYR 13 1HB TYR 13 -2.460 -3.643 1.355
67 HB3 TYR 13 2HB TYR 13 -2.395 -2.820 2.909
68 HD1 TYR 13 HD2 TYR 13 -2.814 -4.106 5.001
69 HD2 TYR 13 HD1 TYR 13 -2.474 -6.019 1.216
70 HE1 TYR 13 HE2 TYR 13 -2.438 -6.258 6.129
71 HE2 TYR 13 HE1 TYR 13 -2.098 -8.177 2.334
72 HH TYR 13 HH TYR 13 -1.150 -8.572 5.298
73 H ASN 14 H ASN 14 -5.339 -0.898 2.567
74 HA ASN 14 HA ASN 14 -4.983 -0.106 -0.250
75 HB2 ASN 14 1HB ASN 14 -6.964 1.285 1.499
76 HB3 ASN 14 2HB ASN 14 -7.007 1.001 -0.239
77 HD21 ASN 14 1HD2 ASN 14 -7.224 -1.341 -0.863
78 HD22 ASN 14 2HD2 ASN 14 -8.334 -2.291 0.059
79 H CYS 15 H CYS 15 -4.624 2.212 -0.612
80 HA CYS 15 HA CYS 15 -2.931 3.335 1.512
81 HB2 CYS 15 1HB CYS 15 -1.656 3.036 -0.465
82 HB3 CYS 15 2HB CYS 15 -2.937 3.688 -1.481
83 H ASN 16 H ASN 16 -3.116 5.499 2.119
84 HA ASN 16 HA ASN 16 -5.710 6.715 1.461
85 HB2 ASN 16 1HB ASN 16 -3.908 7.249 3.834
86 HB3 ASN 16 2HB ASN 16 -5.512 7.929 3.574
87 HD21 ASN 16 1HD2 ASN 16 -4.740 6.467 5.842
88 HD22 ASN 16 2HD2 ASN 16 -5.668 5.010 5.886
89 H GLU 17 H GLU 17 -2.269 7.213 1.423
90 HA GLU 17 HA GLU 17 -2.045 9.949 1.199
91 HB2 GLU 17 1HB GLU 17 -0.499 7.719 -0.103
92 HB3 GLU 17 2HB GLU 17 -0.072 9.405 -0.357
93 HG2 GLU 17 1HG GLU 17 1.311 8.866 1.376
94 HG3 GLU 17 2HG GLU 17 -0.082 9.498 2.251
95 H CYS 18 H CYS 18 -2.803 7.605 -1.350
96 HA CYS 18 HA CYS 18 -3.676 9.857 -3.039
97 HB2 CYS 18 1HB CYS 18 -3.113 8.394 -5.001
98 HB3 CYS 18 2HB CYS 18 -1.720 8.916 -4.059
99 H GLY 19 H GLY 19 -4.169 6.427 -2.267
100 HA2 GLY 19 1HA GLY 19 -6.461 5.745 -1.726
101 HA3 GLY 19 2HA GLY 19 -6.998 6.777 -3.042
102 H LYS 20 H LYS 20 -4.675 4.108 -2.580
103 HA LYS 20 HA LYS 20 -5.830 2.838 -4.975
104 HB2 LYS 20 1HB LYS 20 -3.411 3.891 -5.070
105 HB3 LYS 20 2HB LYS 20 -2.962 2.401 -4.249
106 HG2 LYS 20 1HG LYS 20 -3.669 1.070 -6.058
107 HG3 LYS 20 2HG LYS 20 -4.530 2.414 -6.810
108 HD2 LYS 20 1HD LYS 20 -2.433 3.538 -7.273
109 HD3 LYS 20 2HD LYS 20 -1.539 2.270 -6.432
110 HE2 LYS 20 1HE LYS 20 -3.300 1.707 -8.804
111 HE3 LYS 20 2HE LYS 20 -1.602 2.149 -8.973
112 HZ1 LYS 20 3HZ LYS 20 -0.916 0.157 -8.221
113 HZ2 LYS 20 1HZ LYS 20 -2.443 -0.356 -8.739
114 HZ3 LYS 20 2HZ LYS 20 -2.179 -0.001 -7.107
115 H ALA 21 H ALA 21 -6.140 0.641 -4.911
116 HA ALA 21 HA ALA 21 -5.849 -0.594 -2.262
117 HB1 ALA 21 3HB ALA 21 -7.976 -1.146 -2.604
118 HB2 ALA 21 1HB ALA 21 -7.902 -0.659 -4.298
119 HB3 ALA 21 2HB ALA 21 -7.403 -2.284 -3.823
120 H PHE 22 H PHE 22 -4.641 -2.381 -1.942
121 HA PHE 22 HA PHE 22 -3.417 -3.649 -4.301
122 HB2 PHE 22 1HB PHE 22 -1.971 -3.334 -1.678
123 HB3 PHE 22 2HB PHE 22 -1.301 -3.736 -3.255
124 HD1 PHE 22 HD2 PHE 22 -0.910 -2.016 -4.918
125 HD2 PHE 22 HD1 PHE 22 -2.476 -1.057 -1.078
126 HE1 PHE 22 HE2 PHE 22 -0.392 0.358 -5.303
127 HE2 PHE 22 HE1 PHE 22 -1.961 1.319 -1.458
128 HZ PHE 22 HZ PHE 22 -0.917 2.029 -3.572
129 H THR 23 H THR 23 -3.311 -5.840 -4.308
130 HA THR 23 HA THR 23 -5.036 -7.307 -2.645
131 HB THR 23 HB THR 23 -2.764 -8.445 -4.280
132 HG1 THR 23 HG1 THR 23 -4.105 -8.333 -6.021
133 HG21 THR 23 3HG2 THR 23 -3.603 -10.238 -3.102
134 HG22 THR 23 1HG2 THR 23 -4.645 -10.263 -4.523
135 HG23 THR 23 2HG2 THR 23 -5.228 -9.559 -3.015
136 H ARG 24 H ARG 24 -1.470 -7.308 -2.779
137 HA ARG 24 HA ARG 24 -1.424 -8.588 -0.141
138 HB2 ARG 24 1HB ARG 24 0.456 -8.475 -2.443
139 HB3 ARG 24 2HB ARG 24 1.157 -8.589 -0.835
140 HG2 ARG 24 1HG ARG 24 0.881 -10.782 -1.882
141 HG3 ARG 24 2HG ARG 24 -0.076 -10.628 -0.407
142 HD2 ARG 24 1HD ARG 24 -1.484 -11.675 -1.985
143 HD3 ARG 24 2HD ARG 24 -2.023 -9.999 -1.894
144 HE ARG 24 HE ARG 24 -1.329 -9.678 -4.066
145 HH11 ARG 24 1HH1 ARG 24 -0.166 -12.741 -2.888
146 HH12 ARG 24 2HH1 ARG 24 0.355 -13.291 -4.446
147 HH21 ARG 24 1HH2 ARG 24 -0.647 -10.391 -6.123
148 HH22 ARG 24 2HH2 ARG 24 0.081 -11.953 -6.285
149 H ILE 25 H ILE 25 0.745 -7.858 1.071
150 HA ILE 25 HA ILE 25 0.419 -4.978 1.478
151 HB ILE 25 HB ILE 25 0.187 -6.441 3.446
152 HG12 ILE 25 1HG1 ILE 25 2.733 -4.888 3.810
153 HG13 ILE 25 2HG1 ILE 25 1.226 -4.054 3.446
154 HG21 ILE 25 1HG2 ILE 25 1.576 -8.266 3.087
155 HG22 ILE 25 2HG2 ILE 25 2.958 -7.257 2.664
156 HG23 ILE 25 3HG2 ILE 25 2.427 -7.366 4.342
157 HD11 ILE 25 3HD1 ILE 25 2.184 -4.926 5.944
158 HD12 ILE 25 1HD1 ILE 25 0.650 -4.139 5.574
159 HD13 ILE 25 2HD1 ILE 25 0.763 -5.899 5.561
160 H PHE 26 H PHE 26 2.586 -7.233 0.127
161 HA PHE 26 HA PHE 26 5.072 -6.069 0.566
162 HB2 PHE 26 1HB PHE 26 4.471 -7.191 -2.132
163 HB3 PHE 26 2HB PHE 26 5.867 -7.458 -1.092
164 HD1 PHE 26 HD1 PHE 26 4.372 -8.207 1.418
165 HD2 PHE 26 HD2 PHE 26 3.899 -9.412 -2.637
166 HE1 PHE 26 HE1 PHE 26 3.405 -10.342 2.169
167 HE2 PHE 26 HE2 PHE 26 2.931 -11.548 -1.893
168 HZ PHE 26 HZ PHE 26 2.682 -12.015 0.512
169 H HIS 27 H HIS 27 2.983 -5.605 -2.290
170 HA HIS 27 HA HIS 27 4.463 -3.559 -3.463
171 HB2 HIS 27 1HB HIS 27 1.638 -4.487 -3.664
172 HB3 HIS 27 2HB HIS 27 2.039 -2.920 -4.361
173 HD2 HIS 27 HD2 HIS 27 4.702 -5.718 -4.709
174 HE1 HIS 27 HE1 HIS 27 2.810 -5.219 -8.474
175 HE2 HIS 27 HE2 HIS 27 4.647 -6.387 -7.207
176 H LEU 28 H LEU 28 1.714 -3.349 -1.222
177 HA LEU 28 HA LEU 28 1.389 -0.609 -1.139
178 HB2 LEU 28 1HB LEU 28 -0.201 -1.899 -0.013
179 HB3 LEU 28 2HB LEU 28 1.024 -2.749 0.927
180 HG LEU 28 HG LEU 28 1.443 -0.599 2.151
181 HD11 LEU 28 1HD1 LEU 28 0.626 1.061 0.712
182 HD12 LEU 28 2HD1 LEU 28 -0.530 1.008 2.042
183 HD13 LEU 28 3HD1 LEU 28 -0.922 0.241 0.503
184 HD21 LEU 28 3HD2 LEU 28 -1.386 -1.075 2.682
185 HD22 LEU 28 1HD2 LEU 28 0.020 -1.305 3.723
186 HD23 LEU 28 2HD2 LEU 28 -0.433 -2.555 2.564
187 H THR 29 H THR 29 3.633 -2.615 0.735
188 HA THR 29 HA THR 29 4.693 -0.625 2.376
189 HB THR 29 HB THR 29 6.032 -3.100 1.272
190 HG1 THR 29 HG1 THR 29 5.584 -3.580 3.683
191 HG21 THR 29 3HG2 THR 29 7.721 -2.845 2.939
192 HG22 THR 29 1HG2 THR 29 6.890 -1.465 3.657
193 HG23 THR 29 2HG2 THR 29 7.626 -1.319 2.060
194 H ARG 30 H ARG 30 5.759 -1.728 -0.829
195 HA ARG 30 HA ARG 30 7.946 0.086 -0.987
196 HB2 ARG 30 1HB ARG 30 6.479 -1.353 -3.206
197 HB3 ARG 30 2HB ARG 30 8.043 -0.564 -3.352
198 HG2 ARG 30 1HG ARG 30 8.644 -2.207 -1.364
199 HG3 ARG 30 2HG ARG 30 7.327 -3.140 -2.078
200 HD2 ARG 30 1HD ARG 30 9.272 -3.916 -3.141
201 HD3 ARG 30 2HD ARG 30 8.519 -2.824 -4.302
202 HE ARG 30 HE ARG 30 10.297 -1.378 -4.065
203 HH11 ARG 30 1HH1 ARG 30 10.452 -3.865 -1.633
204 HH12 ARG 30 2HH1 ARG 30 12.058 -3.454 -1.130
205 HH21 ARG 30 1HH2 ARG 30 12.412 -0.828 -3.411
206 HH22 ARG 30 2HH2 ARG 30 13.172 -1.726 -2.142
207 H HIS 31 H HIS 31 4.569 0.222 -1.902
208 HA HIS 31 HA HIS 31 4.702 2.498 -3.565
209 HB2 HIS 31 1HB HIS 31 2.737 1.162 -3.681
210 HB3 HIS 31 2HB HIS 31 2.462 1.288 -1.946
211 HD1 HIS 31 HD1 HIS 31 2.547 3.603 -4.966
212 HD2 HIS 31 HD2 HIS 31 0.656 3.191 -1.290
213 HE1 HIS 31 HE1 HIS 31 0.850 5.456 -4.872
214 H GLN 32 H GLN 32 3.432 2.305 -0.234
215 HA GLN 32 HA GLN 32 3.062 4.873 0.406
216 HB2 GLN 32 1HB GLN 32 4.377 2.725 2.056
217 HB3 GLN 32 2HB GLN 32 4.005 4.310 2.721
218 HG2 GLN 32 1HG GLN 32 1.632 3.955 2.129
219 HG3 GLN 32 2HG GLN 32 2.044 2.328 1.590
220 HE21 GLN 32 1HE2 GLN 32 0.190 2.356 3.403
221 HE22 GLN 32 2HE2 GLN 32 0.778 1.933 4.971
222 H LYS 33 H LYS 33 6.210 3.331 0.086
223 HA LYS 33 HA LYS 33 7.821 5.363 1.108
224 HB2 LYS 33 1HB LYS 33 8.424 3.461 -1.165
225 HB3 LYS 33 2HB LYS 33 9.619 4.395 -0.274
226 HG2 LYS 33 1HG LYS 33 8.523 3.159 1.788
227 HG3 LYS 33 2HG LYS 33 8.096 1.984 0.542
228 HD2 LYS 33 1HD LYS 33 10.891 2.997 0.611
229 HD3 LYS 33 2HD LYS 33 10.391 1.856 1.862
230 HE2 LYS 33 1HE LYS 33 9.717 1.227 -0.965
231 HE3 LYS 33 2HE LYS 33 11.395 1.049 -0.453
232 HZ1 LYS 33 3HZ LYS 33 10.104 -1.005 -0.211
233 HZ2 LYS 33 1HZ LYS 33 9.073 -0.231 0.885
234 HZ3 LYS 33 2HZ LYS 33 10.704 -0.456 1.273
235 H ILE 34 H ILE 34 6.662 4.848 -2.210
236 HA ILE 34 HA ILE 34 7.957 6.875 -3.529
237 HB ILE 34 HB ILE 34 6.319 6.781 -5.193
238 HG12 ILE 34 1HG1 ILE 34 4.017 5.639 -4.457
239 HG13 ILE 34 2HG1 ILE 34 4.462 6.344 -2.906
240 HG21 ILE 34 1HG2 ILE 34 5.493 4.155 -4.362
241 HG22 ILE 34 2HG2 ILE 34 6.618 4.626 -5.635
242 HG23 ILE 34 3HG2 ILE 34 7.195 4.419 -3.982
243 HD11 ILE 34 3HD1 ILE 34 3.959 8.408 -3.578
244 HD12 ILE 34 1HD1 ILE 34 4.722 8.187 -5.152
245 HD13 ILE 34 2HD1 ILE 34 3.079 7.608 -4.879
246 H HIS 35 H HIS 35 5.266 7.112 -1.307
247 HA HIS 35 HA HIS 35 4.651 9.843 -1.912
248 HB2 HIS 35 1HB HIS 35 3.871 7.992 0.336
249 HB3 HIS 35 2HB HIS 35 3.366 9.679 0.294
250 HD1 HIS 35 HD1 HIS 35 2.125 10.292 -2.151
251 HD2 HIS 35 HD2 HIS 35 2.056 6.361 -0.808
252 HE1 HIS 35 HE1 HIS 35 0.232 9.191 -3.389
253 H THR 36 H THR 36 6.644 10.924 -1.753
254 HA THR 36 HA THR 36 7.471 11.459 1.017
255 HB THR 36 HB THR 36 9.829 11.599 0.298
256 HG1 THR 36 HG1 THR 36 10.110 10.356 -1.843
257 HG21 THR 36 3HG2 THR 36 8.292 9.263 0.692
258 HG22 THR 36 1HG2 THR 36 10.015 9.489 0.988
259 HG23 THR 36 2HG2 THR 36 9.459 8.901 -0.579
260 H ARG 37 H ARG 37 7.083 13.530 1.412
261 HA ARG 37 HA ARG 37 6.426 15.497 -0.384
262 HB2 ARG 37 1HB ARG 37 6.413 15.458 2.238
263 HB3 ARG 37 2HB ARG 37 7.983 16.231 2.066
264 HG2 ARG 37 1HG ARG 37 7.050 18.104 0.971
265 HG3 ARG 37 2HG ARG 37 5.502 17.287 0.745
266 HD2 ARG 37 1HD ARG 37 6.686 17.990 3.427
267 HD3 ARG 37 2HD ARG 37 5.501 18.978 2.572
268 HE ARG 37 HE ARG 37 4.642 16.270 2.941
269 HH11 ARG 37 1HH1 ARG 37 4.871 19.404 4.441
270 HH12 ARG 37 2HH1 ARG 37 3.549 19.126 5.526
271 HH21 ARG 37 1HH2 ARG 37 2.900 15.892 4.365
272 HH22 ARG 37 2HH2 ARG 37 2.430 17.128 5.482
273 H LYS 38 H LYS 38 7.658 17.533 -0.866
274 HA LYS 38 HA LYS 38 10.056 16.868 -2.258
275 HB2 LYS 38 1HB LYS 38 8.576 19.448 -1.788
276 HB3 LYS 38 2HB LYS 38 10.106 19.403 -2.655
277 HG2 LYS 38 1HG LYS 38 8.670 19.268 -4.409
278 HG3 LYS 38 2HG LYS 38 8.856 17.549 -4.056
279 HD2 LYS 38 1HD LYS 38 6.813 17.797 -2.558
280 HD3 LYS 38 2HD LYS 38 6.577 19.370 -3.322
281 HE2 LYS 38 1HE LYS 38 6.978 17.000 -5.072
282 HE3 LYS 38 2HE LYS 38 5.427 17.174 -4.253
283 HZ1 LYS 38 3HZ LYS 38 6.590 18.779 -6.387
284 HZ2 LYS 38 1HZ LYS 38 5.703 19.616 -5.215
285 HZ3 LYS 38 2HZ LYS 38 4.975 18.371 -6.097
286 H SER 39 H SER 39 12.162 17.576 -1.891
287 HA SER 39 HA SER 39 12.852 19.158 0.396
288 HB2 SER 39 1HB SER 39 12.463 17.119 1.612
289 HB3 SER 39 2HB SER 39 13.390 16.181 0.440
290 HG SER 39 HG SER 39 14.683 16.593 2.220
291 H GLY 40 H GLY 40 14.647 20.240 -0.089
292 HA2 GLY 40 1HA GLY 40 16.842 20.549 -0.839
293 HA3 GLY 40 2HA GLY 40 16.783 18.963 -1.594
294 HA PRO 41 HA PRO 41 16.602 22.083 -4.984
295 HB2 PRO 41 1HB PRO 41 18.265 20.710 -6.633
296 HB3 PRO 41 2HB PRO 41 18.848 21.823 -5.389
297 HG2 PRO 41 1HG PRO 41 18.650 18.837 -5.317
298 HG3 PRO 41 2HG PRO 41 19.965 19.885 -4.755
299 HD2 PRO 41 1HD PRO 41 18.143 18.803 -3.069
300 HD3 PRO 41 2HD PRO 41 18.890 20.387 -2.779
301 H SER 42 H SER 42 15.704 18.851 -4.529
302 HA SER 42 HA SER 42 15.029 17.742 -6.878
303 HB2 SER 42 1HB SER 42 13.179 16.655 -5.806
304 HB3 SER 42 2HB SER 42 14.425 16.888 -4.580
305 HG SER 42 HG SER 42 13.082 19.012 -4.330
306 H SER 43 H SER 43 13.147 17.739 -8.244
307 HA SER 43 HA SER 43 12.261 20.421 -8.849
308 HB2 SER 43 1HB SER 43 12.927 18.617 -10.556
309 HB3 SER 43 2HB SER 43 11.342 17.910 -10.243
310 HG SER 43 HG SER 43 11.766 19.682 -11.988
311 H GLY 44 H GLY 44 9.853 20.605 -9.564
312 HA2 GLY 44 1HA GLY 44 7.587 20.334 -9.089
313 HA3 GLY 44 2HA GLY 44 8.006 19.083 -7.927
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -30.332 2.638 -1.948
2 HA2 GLY 1 1HA GLY 1 -28.018 4.029 -2.311
3 HA3 GLY 1 2HA GLY 1 -29.589 4.808 -2.190
4 H SER 2 H SER 2 -30.223 5.758 -0.243
5 HA SER 2 HA SER 2 -28.419 7.172 1.194
6 HB2 SER 2 1HB SER 2 -31.022 7.178 1.286
7 HB3 SER 2 2HB SER 2 -30.813 6.053 2.628
8 HG SER 2 HG SER 2 -30.682 7.892 3.687
9 H SER 3 H SER 3 -29.729 4.011 2.184
10 HA SER 3 HA SER 3 -27.358 3.679 3.903
11 HB2 SER 3 1HB SER 3 -29.573 4.001 5.119
12 HB3 SER 3 2HB SER 3 -30.054 2.438 4.459
13 HG SER 3 HG SER 3 -27.834 2.965 6.146
14 H GLY 4 H GLY 4 -26.106 2.440 2.587
15 HA2 GLY 4 1HA GLY 4 -27.300 0.099 1.292
16 HA3 GLY 4 2HA GLY 4 -25.699 0.752 0.977
17 H SER 5 H SER 5 -24.933 -1.440 1.153
18 HA SER 5 HA SER 5 -23.947 -2.027 3.762
19 HB2 SER 5 1HB SER 5 -25.068 -4.052 4.248
20 HB3 SER 5 2HB SER 5 -26.347 -2.936 3.771
21 HG SER 5 HG SER 5 -25.826 -5.281 2.731
22 H SER 6 H SER 6 -22.327 -3.632 3.754
23 HA SER 6 HA SER 6 -21.669 -4.865 1.188
24 HB2 SER 6 1HB SER 6 -20.492 -2.549 1.606
25 HB3 SER 6 2HB SER 6 -19.457 -3.496 2.675
26 HG SER 6 HG SER 6 -19.954 -4.081 -0.059
27 H GLY 7 H GLY 7 -20.942 -6.890 1.418
28 HA2 GLY 7 1HA GLY 7 -20.143 -7.741 4.132
29 HA3 GLY 7 2HA GLY 7 -21.020 -8.764 3.005
30 H THR 8 H THR 8 -17.922 -7.335 3.777
31 HA THR 8 HA THR 8 -16.625 -8.954 1.703
32 HB THR 8 HB THR 8 -14.619 -7.638 2.113
33 HG1 THR 8 HG1 THR 8 -16.182 -6.359 4.128
34 HG21 THR 8 3HG2 THR 8 -16.450 -5.379 2.041
35 HG22 THR 8 1HG2 THR 8 -16.964 -6.694 0.984
36 HG23 THR 8 2HG2 THR 8 -15.359 -5.986 0.796
37 H ASP 9 H ASP 9 -15.778 -10.847 2.236
38 HA ASP 9 HA ASP 9 -15.143 -11.370 5.059
39 HB2 ASP 9 1HB ASP 9 -15.536 -13.392 2.845
40 HB3 ASP 9 2HB ASP 9 -15.417 -13.718 4.573
41 H SER 10 H SER 10 -13.329 -9.881 3.499
42 HA SER 10 HA SER 10 -10.975 -11.511 3.817
43 HB2 SER 10 1HB SER 10 -12.008 -11.816 1.397
44 HB3 SER 10 2HB SER 10 -11.204 -10.274 1.106
45 HG SER 10 HG SER 10 -9.362 -11.275 1.079
46 H LYS 11 H LYS 11 -9.089 -10.304 4.007
47 HA LYS 11 HA LYS 11 -9.495 -7.522 4.650
48 HB2 LYS 11 1HB LYS 11 -7.237 -7.566 5.490
49 HB3 LYS 11 2HB LYS 11 -8.064 -9.023 6.026
50 HG2 LYS 11 1HG LYS 11 -6.788 -10.396 4.728
51 HG3 LYS 11 2HG LYS 11 -6.490 -9.152 3.511
52 HD2 LYS 11 1HD LYS 11 -4.423 -9.358 4.545
53 HD3 LYS 11 2HD LYS 11 -5.140 -7.983 5.388
54 HE2 LYS 11 1HE LYS 11 -5.480 -10.763 6.446
55 HE3 LYS 11 2HE LYS 11 -3.995 -9.865 6.758
56 HZ1 LYS 11 3HZ LYS 11 -5.324 -9.364 8.567
57 HZ2 LYS 11 1HZ LYS 11 -6.741 -9.259 7.647
58 HZ3 LYS 11 2HZ LYS 11 -5.579 -8.033 7.555
59 H SER 12 H SER 12 -7.825 -5.897 3.901
60 HA SER 12 HA SER 12 -6.446 -6.232 1.466
61 HB2 SER 12 1HB SER 12 -7.844 -5.180 -0.123
62 HB3 SER 12 2HB SER 12 -8.901 -6.313 0.719
63 HG SER 12 HG SER 12 -10.088 -4.613 1.054
64 H TYR 13 H TYR 13 -4.924 -4.713 1.410
65 HA TYR 13 HA TYR 13 -5.152 -2.436 3.210
66 HB2 TYR 13 1HB TYR 13 -2.762 -3.145 1.516
67 HB3 TYR 13 2HB TYR 13 -2.802 -2.193 2.996
68 HD1 TYR 13 HD2 TYR 13 -3.076 -3.304 5.177
69 HD2 TYR 13 HD1 TYR 13 -2.702 -5.544 1.579
70 HE1 TYR 13 HE2 TYR 13 -2.573 -5.321 6.492
71 HE2 TYR 13 HE1 TYR 13 -2.199 -7.567 2.884
72 HH TYR 13 HH TYR 13 -2.896 -8.099 5.793
73 H ASN 14 H ASN 14 -4.154 -0.331 2.382
74 HA ASN 14 HA ASN 14 -4.352 0.258 -0.403
75 HB2 ASN 14 1HB ASN 14 -6.242 1.947 -0.071
76 HB3 ASN 14 2HB ASN 14 -6.701 0.247 -0.130
77 HD21 ASN 14 1HD2 ASN 14 -8.170 -0.268 1.303
78 HD22 ASN 14 2HD2 ASN 14 -8.349 0.415 2.879
79 H CYS 15 H CYS 15 -4.249 2.721 -0.742
80 HA CYS 15 HA CYS 15 -2.607 3.907 1.400
81 HB2 CYS 15 1HB CYS 15 -1.363 3.217 -0.694
82 HB3 CYS 15 2HB CYS 15 -2.285 4.447 -1.553
83 H ASN 16 H ASN 16 -4.678 4.778 2.162
84 HA ASN 16 HA ASN 16 -6.470 6.354 0.894
85 HB2 ASN 16 1HB ASN 16 -6.822 7.543 2.984
86 HB3 ASN 16 2HB ASN 16 -6.506 5.844 3.321
87 HD21 ASN 16 1HD2 ASN 16 -4.440 5.250 4.126
88 HD22 ASN 16 2HD2 ASN 16 -3.467 6.395 4.978
89 H GLU 17 H GLU 17 -3.168 7.212 1.701
90 HA GLU 17 HA GLU 17 -3.152 9.935 1.417
91 HB2 GLU 17 1HB GLU 17 -1.131 7.881 0.533
92 HB3 GLU 17 2HB GLU 17 -0.826 9.608 0.415
93 HG2 GLU 17 1HG GLU 17 0.177 8.924 2.417
94 HG3 GLU 17 2HG GLU 17 -1.316 9.732 2.890
95 H CYS 18 H CYS 18 -2.482 7.668 -1.260
96 HA CYS 18 HA CYS 18 -3.104 9.775 -3.176
97 HB2 CYS 18 1HB CYS 18 -2.322 8.070 -4.857
98 HB3 CYS 18 2HB CYS 18 -1.111 8.549 -3.672
99 H GLY 19 H GLY 19 -4.156 6.471 -2.388
100 HA2 GLY 19 1HA GLY 19 -6.584 6.087 -2.327
101 HA3 GLY 19 2HA GLY 19 -6.694 7.075 -3.776
102 H LYS 20 H LYS 20 -4.592 4.353 -2.846
103 HA LYS 20 HA LYS 20 -5.647 2.855 -5.144
104 HB2 LYS 20 1HB LYS 20 -2.833 3.628 -4.570
105 HB3 LYS 20 2HB LYS 20 -3.110 2.011 -5.204
106 HG2 LYS 20 1HG LYS 20 -4.159 2.892 -7.168
107 HG3 LYS 20 2HG LYS 20 -4.115 4.529 -6.511
108 HD2 LYS 20 1HD LYS 20 -1.547 3.049 -6.747
109 HD3 LYS 20 2HD LYS 20 -2.292 3.658 -8.227
110 HE2 LYS 20 1HE LYS 20 -2.144 5.879 -7.529
111 HE3 LYS 20 2HE LYS 20 -1.938 5.430 -5.836
112 HZ1 LYS 20 3HZ LYS 20 0.146 6.170 -6.713
113 HZ2 LYS 20 1HZ LYS 20 0.051 5.092 -8.013
114 HZ3 LYS 20 2HZ LYS 20 0.251 4.504 -6.440
115 H ALA 21 H ALA 21 -6.526 1.050 -4.396
116 HA ALA 21 HA ALA 21 -5.685 -0.069 -1.856
117 HB1 ALA 21 3HB ALA 21 -7.887 -0.430 -1.809
118 HB2 ALA 21 1HB ALA 21 -8.043 -0.227 -3.554
119 HB3 ALA 21 2HB ALA 21 -7.568 -1.789 -2.886
120 H PHE 22 H PHE 22 -4.209 -1.611 -1.659
121 HA PHE 22 HA PHE 22 -3.528 -3.216 -4.029
122 HB2 PHE 22 1HB PHE 22 -1.845 -2.617 -1.587
123 HB3 PHE 22 2HB PHE 22 -1.331 -3.557 -2.984
124 HD1 PHE 22 HD1 PHE 22 -2.106 -0.206 -1.730
125 HD2 PHE 22 HD2 PHE 22 -0.742 -2.488 -5.054
126 HE1 PHE 22 HE1 PHE 22 -1.318 1.856 -2.819
127 HE2 PHE 22 HE2 PHE 22 0.048 -0.430 -6.147
128 HZ PHE 22 HZ PHE 22 -0.239 1.745 -5.029
129 H THR 23 H THR 23 -3.755 -5.369 -3.988
130 HA THR 23 HA THR 23 -5.150 -6.595 -1.819
131 HB THR 23 HB THR 23 -3.896 -7.851 -4.268
132 HG1 THR 23 HG1 THR 23 -6.355 -6.624 -3.732
133 HG21 THR 23 3HG2 THR 23 -5.692 -8.947 -2.121
134 HG22 THR 23 1HG2 THR 23 -4.179 -9.611 -2.735
135 HG23 THR 23 2HG2 THR 23 -5.633 -9.658 -3.733
136 H ARG 24 H ARG 24 -1.821 -6.354 -2.774
137 HA ARG 24 HA ARG 24 -1.022 -8.434 -0.881
138 HB2 ARG 24 1HB ARG 24 0.498 -6.877 -2.971
139 HB3 ARG 24 2HB ARG 24 1.288 -7.940 -1.814
140 HG2 ARG 24 1HG ARG 24 0.514 -9.834 -2.810
141 HG3 ARG 24 2HG ARG 24 -0.951 -9.053 -3.410
142 HD2 ARG 24 1HD ARG 24 1.712 -8.237 -4.489
143 HD3 ARG 24 2HD ARG 24 0.959 -9.725 -5.062
144 HE ARG 24 HE ARG 24 -0.815 -7.482 -5.155
145 HH11 ARG 24 1HH1 ARG 24 1.762 -9.121 -6.827
146 HH12 ARG 24 2HH1 ARG 24 1.306 -8.521 -8.387
147 HH21 ARG 24 1HH2 ARG 24 -1.425 -6.686 -7.203
148 HH22 ARG 24 2HH2 ARG 24 -0.505 -7.135 -8.600
149 H ILE 25 H ILE 25 0.498 -8.030 0.787
150 HA ILE 25 HA ILE 25 0.178 -5.416 1.993
151 HB ILE 25 HB ILE 25 -0.033 -7.433 3.380
152 HG12 ILE 25 1HG1 ILE 25 1.628 -6.730 5.172
153 HG13 ILE 25 2HG1 ILE 25 2.253 -5.565 4.010
154 HG21 ILE 25 1HG2 ILE 25 2.840 -7.852 2.595
155 HG22 ILE 25 2HG2 ILE 25 2.096 -8.642 3.985
156 HG23 ILE 25 3HG2 ILE 25 1.477 -8.947 2.362
157 HD11 ILE 25 3HD1 ILE 25 0.786 -4.218 5.061
158 HD12 ILE 25 1HD1 ILE 25 -0.334 -4.927 3.899
159 HD13 ILE 25 2HD1 ILE 25 -0.261 -5.550 5.547
160 H PHE 26 H PHE 26 2.729 -7.352 0.548
161 HA PHE 26 HA PHE 26 4.846 -5.574 1.299
162 HB2 PHE 26 1HB PHE 26 6.279 -7.022 0.163
163 HB3 PHE 26 2HB PHE 26 4.978 -8.092 0.673
164 HD1 PHE 26 HD2 PHE 26 6.542 -6.398 -2.167
165 HD2 PHE 26 HD1 PHE 26 3.465 -9.064 -0.925
166 HE1 PHE 26 HE2 PHE 26 6.204 -7.092 -4.503
167 HE2 PHE 26 HE1 PHE 26 3.123 -9.762 -3.260
168 HZ PHE 26 HZ PHE 26 4.493 -8.775 -5.052
169 H HIS 27 H HIS 27 2.855 -6.053 -1.571
170 HA HIS 27 HA HIS 27 4.232 -4.370 -3.330
171 HB2 HIS 27 1HB HIS 27 2.319 -5.975 -3.855
172 HB3 HIS 27 2HB HIS 27 1.234 -4.704 -3.301
173 HD2 HIS 27 HD2 HIS 27 1.712 -2.187 -4.866
174 HE1 HIS 27 HE1 HIS 27 2.692 -4.464 -8.309
175 HE2 HIS 27 HE2 HIS 27 2.131 -2.176 -7.419
176 H LEU 28 H LEU 28 1.811 -3.667 -0.873
177 HA LEU 28 HA LEU 28 1.429 -0.945 -1.609
178 HB2 LEU 28 1HB LEU 28 -0.299 -1.931 -0.366
179 HB3 LEU 28 2HB LEU 28 0.817 -2.549 0.850
180 HG LEU 28 HG LEU 28 1.209 -0.172 1.560
181 HD11 LEU 28 1HD1 LEU 28 0.066 1.585 0.691
182 HD12 LEU 28 2HD1 LEU 28 -1.329 0.605 0.244
183 HD13 LEU 28 3HD1 LEU 28 0.126 0.571 -0.751
184 HD21 LEU 28 3HD2 LEU 28 -1.701 -0.752 1.830
185 HD22 LEU 28 1HD2 LEU 28 -0.533 -0.239 3.048
186 HD23 LEU 28 2HD2 LEU 28 -0.535 -1.908 2.477
187 H THR 29 H THR 29 3.480 -2.587 0.757
188 HA THR 29 HA THR 29 4.499 -0.318 2.044
189 HB THR 29 HB THR 29 5.899 -2.959 1.575
190 HG1 THR 29 HG1 THR 29 4.874 -3.642 3.380
191 HG21 THR 29 3HG2 THR 29 7.321 -1.004 2.324
192 HG22 THR 29 1HG2 THR 29 7.320 -2.405 3.395
193 HG23 THR 29 2HG2 THR 29 6.360 -0.983 3.803
194 H ARG 30 H ARG 30 5.726 -2.115 -0.765
195 HA ARG 30 HA ARG 30 8.029 -0.517 -1.142
196 HB2 ARG 30 1HB ARG 30 8.281 -1.636 -3.236
197 HB3 ARG 30 2HB ARG 30 7.656 -2.813 -2.090
198 HG2 ARG 30 1HG ARG 30 5.613 -2.938 -3.116
199 HG3 ARG 30 2HG ARG 30 5.733 -1.312 -3.792
200 HD2 ARG 30 1HD ARG 30 7.589 -3.484 -4.691
201 HD3 ARG 30 2HD ARG 30 5.964 -3.357 -5.364
202 HE ARG 30 HE ARG 30 7.528 -0.924 -5.435
203 HH11 ARG 30 1HH1 ARG 30 6.555 -3.817 -7.110
204 HH12 ARG 30 2HH1 ARG 30 6.914 -3.184 -8.682
205 HH21 ARG 30 1HH2 ARG 30 8.004 -0.079 -7.500
206 HH22 ARG 30 2HH2 ARG 30 7.739 -1.058 -8.903
207 H HIS 31 H HIS 31 4.742 0.085 -1.711
208 HA HIS 31 HA HIS 31 5.220 2.031 -3.825
209 HB2 HIS 31 1HB HIS 31 3.221 0.992 -4.290
210 HB3 HIS 31 2HB HIS 31 2.809 0.785 -2.591
211 HD1 HIS 31 HD1 HIS 31 2.813 3.418 -5.298
212 HD2 HIS 31 HD2 HIS 31 1.184 2.733 -1.538
213 HE1 HIS 31 HE1 HIS 31 1.142 5.264 -4.942
214 H GLN 32 H GLN 32 3.686 2.049 -0.602
215 HA GLN 32 HA GLN 32 3.225 4.665 -0.185
216 HB2 GLN 32 1HB GLN 32 4.364 2.610 1.690
217 HB3 GLN 32 2HB GLN 32 4.019 4.246 2.236
218 HG2 GLN 32 1HG GLN 32 1.673 3.739 1.143
219 HG3 GLN 32 2HG GLN 32 2.160 2.072 1.448
220 HE21 GLN 32 1HE2 GLN 32 1.469 1.301 3.297
221 HE22 GLN 32 2HE2 GLN 32 1.197 2.202 4.746
222 H LYS 33 H LYS 33 6.341 3.202 -0.538
223 HA LYS 33 HA LYS 33 8.043 4.986 0.676
224 HB2 LYS 33 1HB LYS 33 8.445 3.691 -2.027
225 HB3 LYS 33 2HB LYS 33 9.713 4.348 -1.000
226 HG2 LYS 33 1HG LYS 33 9.002 2.675 0.747
227 HG3 LYS 33 2HG LYS 33 7.998 1.933 -0.501
228 HD2 LYS 33 1HD LYS 33 9.895 0.692 -0.764
229 HD3 LYS 33 2HD LYS 33 10.272 2.022 -1.861
230 HE2 LYS 33 1HE LYS 33 11.769 2.988 -0.377
231 HE3 LYS 33 2HE LYS 33 11.061 2.179 1.020
232 HZ1 LYS 33 3HZ LYS 33 12.929 0.939 0.745
233 HZ2 LYS 33 1HZ LYS 33 12.996 1.173 -0.929
234 HZ3 LYS 33 2HZ LYS 33 11.897 0.067 -0.273
235 H ILE 34 H ILE 34 6.621 5.242 -2.570
236 HA ILE 34 HA ILE 34 7.846 7.555 -3.441
237 HB ILE 34 HB ILE 34 5.981 7.900 -4.924
238 HG12 ILE 34 1HG1 ILE 34 4.381 5.746 -3.599
239 HG13 ILE 34 2HG1 ILE 34 4.325 7.377 -2.941
240 HG21 ILE 34 1HG2 ILE 34 7.184 5.293 -4.511
241 HG22 ILE 34 2HG2 ILE 34 5.630 5.191 -5.337
242 HG23 ILE 34 3HG2 ILE 34 6.919 6.192 -6.005
243 HD11 ILE 34 3HD1 ILE 34 2.553 7.436 -4.370
244 HD12 ILE 34 1HD1 ILE 34 3.832 8.017 -5.436
245 HD13 ILE 34 2HD1 ILE 34 3.303 6.336 -5.526
246 H HIS 35 H HIS 35 5.569 7.169 -0.905
247 HA HIS 35 HA HIS 35 4.851 9.997 -0.882
248 HB2 HIS 35 1HB HIS 35 3.955 7.659 0.809
249 HB3 HIS 35 2HB HIS 35 3.428 9.316 1.084
250 HD1 HIS 35 HD1 HIS 35 2.370 10.410 -1.302
251 HD2 HIS 35 HD2 HIS 35 2.191 6.302 -0.708
252 HE1 HIS 35 HE1 HIS 35 0.560 9.587 -2.841
253 H THR 36 H THR 36 7.536 9.656 -0.502
254 HA THR 36 HA THR 36 7.931 10.001 2.394
255 HB THR 36 HB THR 36 9.329 8.245 1.503
256 HG1 THR 36 HG1 THR 36 10.681 9.109 2.888
257 HG21 THR 36 3HG2 THR 36 11.145 9.600 -0.172
258 HG22 THR 36 1HG2 THR 36 9.530 10.004 -0.753
259 HG23 THR 36 2HG2 THR 36 10.021 8.316 -0.614
260 H ARG 37 H ARG 37 9.011 11.794 3.193
261 HA ARG 37 HA ARG 37 8.870 14.150 1.515
262 HB2 ARG 37 1HB ARG 37 9.557 13.779 4.434
263 HB3 ARG 37 2HB ARG 37 9.503 15.341 3.629
264 HG2 ARG 37 1HG ARG 37 7.147 13.483 3.686
265 HG3 ARG 37 2HG ARG 37 7.459 14.664 4.959
266 HD2 ARG 37 1HD ARG 37 5.998 15.771 3.518
267 HD3 ARG 37 2HD ARG 37 7.586 16.383 3.060
268 HE ARG 37 HE ARG 37 6.799 14.114 1.509
269 HH11 ARG 37 1HH1 ARG 37 6.444 17.561 1.847
270 HH12 ARG 37 2HH1 ARG 37 6.070 17.818 0.175
271 HH21 ARG 37 1HH2 ARG 37 6.308 14.440 -0.695
272 HH22 ARG 37 2HH2 ARG 37 5.992 16.042 -1.270
273 H LYS 38 H LYS 38 10.530 15.090 0.519
274 HA LYS 38 HA LYS 38 13.226 14.057 1.046
275 HB2 LYS 38 1HB LYS 38 11.852 15.181 -1.341
276 HB3 LYS 38 2HB LYS 38 13.577 15.483 -1.189
277 HG2 LYS 38 1HG LYS 38 13.346 13.535 -2.497
278 HG3 LYS 38 2HG LYS 38 13.876 13.002 -0.899
279 HD2 LYS 38 1HD LYS 38 12.168 11.507 -1.459
280 HD3 LYS 38 2HD LYS 38 11.379 12.676 -0.398
281 HE2 LYS 38 1HE LYS 38 9.863 12.500 -2.130
282 HE3 LYS 38 2HE LYS 38 10.809 13.906 -2.615
283 HZ1 LYS 38 3HZ LYS 38 11.307 12.868 -4.489
284 HZ2 LYS 38 1HZ LYS 38 10.421 11.509 -4.011
285 HZ3 LYS 38 2HZ LYS 38 12.064 11.624 -3.628
286 H SER 39 H SER 39 14.908 15.910 0.280
287 HA SER 39 HA SER 39 14.757 17.879 2.345
288 HB2 SER 39 1HB SER 39 16.932 18.644 1.470
289 HB3 SER 39 2HB SER 39 16.904 16.894 1.684
290 HG SER 39 HG SER 39 17.605 16.960 -0.314
291 H GLY 40 H GLY 40 12.802 18.982 1.735
292 HA2 GLY 40 1HA GLY 40 13.004 21.458 0.726
293 HA3 GLY 40 2HA GLY 40 12.807 20.505 -0.737
294 HA PRO 41 HA PRO 41 8.700 21.440 1.575
295 HB2 PRO 41 1HB PRO 41 7.947 23.733 0.333
296 HB3 PRO 41 2HB PRO 41 8.876 23.716 1.836
297 HG2 PRO 41 1HG PRO 41 9.830 24.097 -0.976
298 HG3 PRO 41 2HG PRO 41 10.301 24.971 0.493
299 HD2 PRO 41 1HD PRO 41 11.818 23.001 -0.580
300 HD3 PRO 41 2HD PRO 41 11.751 23.310 1.167
301 H SER 42 H SER 42 9.420 22.400 -1.788
302 HA SER 42 HA SER 42 8.128 22.123 -3.689
303 HB2 SER 42 1HB SER 42 7.987 19.682 -4.270
304 HB3 SER 42 2HB SER 42 9.589 20.207 -3.752
305 HG SER 42 HG SER 42 8.062 18.296 -2.710
306 H SER 43 H SER 43 6.433 22.907 -1.655
307 HA SER 43 HA SER 43 4.173 21.087 -1.589
308 HB2 SER 43 1HB SER 43 4.693 23.793 -0.356
309 HB3 SER 43 2HB SER 43 3.122 22.997 -0.258
310 HG SER 43 HG SER 43 4.658 21.145 0.502
311 H GLY 44 H GLY 44 2.040 21.701 -2.287
312 HA2 GLY 44 1HA GLY 44 0.969 23.740 -3.531
313 HA3 GLY 44 2HA GLY 44 2.143 23.279 -4.755
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -27.960 -24.588 12.492
2 HA2 GLY 1 1HA GLY 1 -29.724 -24.139 10.830
3 HA3 GLY 1 2HA GLY 1 -29.265 -22.653 11.648
4 H SER 2 H SER 2 -30.424 -22.344 9.280
5 HA SER 2 HA SER 2 -28.425 -22.217 7.181
6 HB2 SER 2 1HB SER 2 -30.619 -22.881 6.477
7 HB3 SER 2 2HB SER 2 -31.357 -21.486 7.263
8 HG SER 2 HG SER 2 -30.700 -21.584 4.806
9 H SER 3 H SER 3 -27.790 -20.294 6.123
10 HA SER 3 HA SER 3 -28.509 -17.729 7.231
11 HB2 SER 3 1HB SER 3 -25.636 -18.654 7.461
12 HB3 SER 3 2HB SER 3 -26.285 -17.093 7.963
13 HG SER 3 HG SER 3 -27.197 -17.999 9.680
14 H GLY 4 H GLY 4 -26.925 -16.001 6.193
15 HA2 GLY 4 1HA GLY 4 -27.212 -16.337 3.357
16 HA3 GLY 4 2HA GLY 4 -26.558 -14.928 4.180
17 H SER 5 H SER 5 -25.802 -18.140 2.960
18 HA SER 5 HA SER 5 -23.049 -18.123 3.543
19 HB2 SER 5 1HB SER 5 -22.891 -19.883 1.785
20 HB3 SER 5 2HB SER 5 -24.181 -20.187 2.949
21 HG SER 5 HG SER 5 -24.563 -18.941 0.428
22 H SER 6 H SER 6 -21.912 -16.347 2.970
23 HA SER 6 HA SER 6 -21.283 -15.992 0.191
24 HB2 SER 6 1HB SER 6 -22.071 -13.785 -0.132
25 HB3 SER 6 2HB SER 6 -23.426 -14.643 0.600
26 HG SER 6 HG SER 6 -23.055 -12.617 1.597
27 H GLY 7 H GLY 7 -19.388 -14.790 -0.141
28 HA2 GLY 7 1HA GLY 7 -17.990 -13.976 2.332
29 HA3 GLY 7 2HA GLY 7 -17.188 -14.904 1.074
30 H THR 8 H THR 8 -18.794 -11.816 1.721
31 HA THR 8 HA THR 8 -17.660 -10.605 -0.650
32 HB THR 8 HB THR 8 -18.699 -8.495 0.287
33 HG1 THR 8 HG1 THR 8 -19.987 -8.678 2.081
34 HG21 THR 8 3HG2 THR 8 -21.101 -9.486 0.037
35 HG22 THR 8 1HG2 THR 8 -20.244 -10.965 -0.397
36 HG23 THR 8 2HG2 THR 8 -20.004 -9.496 -1.343
37 H ASP 9 H ASP 9 -17.409 -10.015 2.860
38 HA ASP 9 HA ASP 9 -15.337 -8.134 2.713
39 HB2 ASP 9 1HB ASP 9 -15.054 -8.472 5.079
40 HB3 ASP 9 2HB ASP 9 -16.775 -8.570 4.715
41 H SER 10 H SER 10 -13.110 -8.298 2.970
42 HA SER 10 HA SER 10 -11.752 -10.769 3.325
43 HB2 SER 10 1HB SER 10 -10.796 -11.030 1.101
44 HB3 SER 10 2HB SER 10 -12.555 -11.085 0.995
45 HG SER 10 HG SER 10 -12.579 -9.137 0.055
46 H LYS 11 H LYS 11 -9.891 -10.270 4.262
47 HA LYS 11 HA LYS 11 -8.953 -7.811 4.878
48 HB2 LYS 11 1HB LYS 11 -6.763 -8.803 5.257
49 HB3 LYS 11 2HB LYS 11 -8.028 -9.908 5.780
50 HG2 LYS 11 1HG LYS 11 -7.776 -11.142 3.654
51 HG3 LYS 11 2HG LYS 11 -6.433 -10.076 3.232
52 HD2 LYS 11 1HD LYS 11 -5.205 -10.823 5.200
53 HD3 LYS 11 2HD LYS 11 -6.558 -11.857 5.667
54 HE2 LYS 11 1HE LYS 11 -4.880 -13.202 4.590
55 HE3 LYS 11 2HE LYS 11 -6.288 -13.090 3.535
56 HZ1 LYS 11 3HZ LYS 11 -4.974 -11.110 2.528
57 HZ2 LYS 11 1HZ LYS 11 -4.578 -12.694 2.083
58 HZ3 LYS 11 2HZ LYS 11 -3.633 -11.873 3.220
59 H SER 12 H SER 12 -7.794 -6.199 3.960
60 HA SER 12 HA SER 12 -6.316 -6.553 1.526
61 HB2 SER 12 1HB SER 12 -8.870 -6.285 0.947
62 HB3 SER 12 2HB SER 12 -8.557 -4.580 1.271
63 HG SER 12 HG SER 12 -6.776 -5.940 -0.392
64 H TYR 13 H TYR 13 -5.246 -4.558 0.837
65 HA TYR 13 HA TYR 13 -5.023 -2.608 3.036
66 HB2 TYR 13 1HB TYR 13 -2.782 -3.472 1.201
67 HB3 TYR 13 2HB TYR 13 -2.657 -2.419 2.606
68 HD1 TYR 13 HD1 TYR 13 -3.395 -5.901 1.560
69 HD2 TYR 13 HD2 TYR 13 -2.303 -3.314 4.756
70 HE1 TYR 13 HE1 TYR 13 -2.921 -7.858 2.974
71 HE2 TYR 13 HE2 TYR 13 -1.825 -5.262 6.178
72 HH TYR 13 HH TYR 13 -2.858 -8.330 5.500
73 H ASN 14 H ASN 14 -4.635 -0.443 2.478
74 HA ASN 14 HA ASN 14 -4.691 0.289 -0.341
75 HB2 ASN 14 1HB ASN 14 -6.533 2.050 0.451
76 HB3 ASN 14 2HB ASN 14 -6.969 0.461 -0.170
77 HD21 ASN 14 1HD2 ASN 14 -8.039 -0.919 1.107
78 HD22 ASN 14 2HD2 ASN 14 -8.438 -0.621 2.762
79 H CYS 15 H CYS 15 -3.968 2.403 -0.761
80 HA CYS 15 HA CYS 15 -2.276 3.485 1.336
81 HB2 CYS 15 1HB CYS 15 -1.389 3.187 -0.952
82 HB3 CYS 15 2HB CYS 15 -2.580 4.338 -1.551
83 H ASN 16 H ASN 16 -3.003 4.985 2.679
84 HA ASN 16 HA ASN 16 -5.344 6.560 2.000
85 HB2 ASN 16 1HB ASN 16 -5.228 5.600 4.231
86 HB3 ASN 16 2HB ASN 16 -3.695 6.412 4.532
87 HD21 ASN 16 1HD2 ASN 16 -4.325 7.633 6.235
88 HD22 ASN 16 2HD2 ASN 16 -5.502 8.894 6.134
89 H GLU 17 H GLU 17 -3.077 7.130 0.422
90 HA GLU 17 HA GLU 17 -2.541 9.899 1.264
91 HB2 GLU 17 1HB GLU 17 -0.574 8.132 -0.198
92 HB3 GLU 17 2HB GLU 17 -0.293 9.763 0.396
93 HG2 GLU 17 1HG GLU 17 -0.994 7.509 2.242
94 HG3 GLU 17 2HG GLU 17 0.666 7.829 1.742
95 H CYS 18 H CYS 18 -3.060 7.617 -1.341
96 HA CYS 18 HA CYS 18 -3.655 9.882 -3.126
97 HB2 CYS 18 1HB CYS 18 -2.849 8.499 -5.023
98 HB3 CYS 18 2HB CYS 18 -1.575 8.886 -3.871
99 H GLY 19 H GLY 19 -4.227 6.430 -2.498
100 HA2 GLY 19 1HA GLY 19 -6.595 5.789 -2.202
101 HA3 GLY 19 2HA GLY 19 -6.946 6.800 -3.596
102 H LYS 20 H LYS 20 -4.946 4.003 -2.672
103 HA LYS 20 HA LYS 20 -5.833 2.638 -5.098
104 HB2 LYS 20 1HB LYS 20 -3.037 3.449 -4.481
105 HB3 LYS 20 2HB LYS 20 -3.281 1.858 -5.191
106 HG2 LYS 20 1HG LYS 20 -4.266 2.773 -7.136
107 HG3 LYS 20 2HG LYS 20 -4.409 4.370 -6.396
108 HD2 LYS 20 1HD LYS 20 -2.148 4.813 -6.608
109 HD3 LYS 20 2HD LYS 20 -1.716 3.104 -6.690
110 HE2 LYS 20 1HE LYS 20 -1.435 3.748 -8.882
111 HE3 LYS 20 2HE LYS 20 -3.096 3.159 -8.906
112 HZ1 LYS 20 3HZ LYS 20 -2.142 5.956 -8.910
113 HZ2 LYS 20 1HZ LYS 20 -3.727 5.566 -8.463
114 HZ3 LYS 20 2HZ LYS 20 -3.169 5.190 -10.015
115 H ALA 21 H ALA 21 -6.613 0.744 -4.479
116 HA ALA 21 HA ALA 21 -5.742 -0.445 -1.968
117 HB1 ALA 21 3HB ALA 21 -8.189 -0.203 -2.839
118 HB2 ALA 21 1HB ALA 21 -7.812 -1.677 -3.731
119 HB3 ALA 21 2HB ALA 21 -7.700 -1.658 -1.971
120 H PHE 22 H PHE 22 -4.367 -2.094 -1.821
121 HA PHE 22 HA PHE 22 -3.653 -3.527 -4.293
122 HB2 PHE 22 1HB PHE 22 -1.987 -3.035 -1.816
123 HB3 PHE 22 2HB PHE 22 -1.468 -3.967 -3.216
124 HD1 PHE 22 HD1 PHE 22 -2.659 -0.586 -2.234
125 HD2 PHE 22 HD2 PHE 22 -0.378 -2.917 -4.968
126 HE1 PHE 22 HE1 PHE 22 -1.823 1.475 -3.288
127 HE2 PHE 22 HE2 PHE 22 0.463 -0.861 -6.025
128 HZ PHE 22 HZ PHE 22 -0.258 1.339 -5.185
129 H THR 23 H THR 23 -3.426 -5.761 -4.256
130 HA THR 23 HA THR 23 -5.132 -7.140 -2.436
131 HB THR 23 HB THR 23 -3.202 -8.272 -4.471
132 HG1 THR 23 HG1 THR 23 -4.682 -7.210 -5.652
133 HG21 THR 23 3HG2 THR 23 -5.494 -9.905 -3.984
134 HG22 THR 23 1HG2 THR 23 -4.704 -9.557 -2.446
135 HG23 THR 23 2HG2 THR 23 -3.789 -10.298 -3.760
136 H ARG 24 H ARG 24 -1.624 -6.955 -2.875
137 HA ARG 24 HA ARG 24 -1.175 -8.727 -0.612
138 HB2 ARG 24 1HB ARG 24 0.750 -7.298 -2.453
139 HB3 ARG 24 2HB ARG 24 1.232 -8.387 -1.160
140 HG2 ARG 24 1HG ARG 24 1.306 -9.766 -2.994
141 HG3 ARG 24 2HG ARG 24 -0.314 -10.087 -2.372
142 HD2 ARG 24 1HD ARG 24 -1.288 -8.614 -4.004
143 HD3 ARG 24 2HD ARG 24 0.307 -8.095 -4.548
144 HE ARG 24 HE ARG 24 -1.056 -10.554 -5.227
145 HH11 ARG 24 1HH1 ARG 24 1.966 -8.827 -5.137
146 HH12 ARG 24 2HH1 ARG 24 2.711 -9.805 -6.358
147 HH21 ARG 24 1HH2 ARG 24 -0.086 -11.848 -6.836
148 HH22 ARG 24 2HH2 ARG 24 1.542 -11.522 -7.325
149 H ILE 25 H ILE 25 0.654 -7.963 0.925
150 HA ILE 25 HA ILE 25 -0.142 -5.324 1.935
151 HB ILE 25 HB ILE 25 -0.376 -7.310 3.441
152 HG12 ILE 25 1HG1 ILE 25 -0.027 -4.902 4.200
153 HG13 ILE 25 2HG1 ILE 25 0.340 -6.153 5.382
154 HG21 ILE 25 1HG2 ILE 25 1.906 -7.938 4.531
155 HG22 ILE 25 2HG2 ILE 25 1.403 -8.716 3.031
156 HG23 ILE 25 3HG2 ILE 25 2.574 -7.397 2.991
157 HD11 ILE 25 3HD1 ILE 25 2.325 -5.227 5.655
158 HD12 ILE 25 1HD1 ILE 25 2.725 -5.676 3.997
159 HD13 ILE 25 2HD1 ILE 25 2.023 -4.094 4.338
160 H PHE 26 H PHE 26 2.570 -7.156 0.762
161 HA PHE 26 HA PHE 26 4.548 -5.256 1.646
162 HB2 PHE 26 1HB PHE 26 6.066 -6.637 0.147
163 HB3 PHE 26 2HB PHE 26 5.305 -7.500 1.479
164 HD1 PHE 26 HD1 PHE 26 3.482 -9.078 1.058
165 HD2 PHE 26 HD2 PHE 26 5.541 -7.144 -2.126
166 HE1 PHE 26 HE1 PHE 26 2.572 -10.725 -0.527
167 HE2 PHE 26 HE2 PHE 26 4.634 -8.788 -3.716
168 HZ PHE 26 HZ PHE 26 3.147 -10.581 -2.917
169 H HIS 27 H HIS 27 2.909 -6.053 -1.380
170 HA HIS 27 HA HIS 27 4.336 -4.460 -3.140
171 HB2 HIS 27 1HB HIS 27 2.333 -6.099 -3.530
172 HB3 HIS 27 2HB HIS 27 1.352 -4.646 -3.363
173 HD2 HIS 27 HD2 HIS 27 4.501 -5.569 -5.602
174 HE1 HIS 27 HE1 HIS 27 1.731 -3.287 -7.864
175 HE2 HIS 27 HE2 HIS 27 3.896 -4.572 -7.911
176 H LEU 28 H LEU 28 1.669 -3.580 -0.992
177 HA LEU 28 HA LEU 28 1.378 -0.924 -1.914
178 HB2 LEU 28 1HB LEU 28 -0.432 -1.738 -0.711
179 HB3 LEU 28 2HB LEU 28 0.587 -2.387 0.571
180 HG LEU 28 HG LEU 28 1.062 -0.003 1.244
181 HD11 LEU 28 1HD1 LEU 28 -0.325 0.529 -1.152
182 HD12 LEU 28 2HD1 LEU 28 0.327 1.683 0.010
183 HD13 LEU 28 3HD1 LEU 28 -1.334 1.112 0.172
184 HD21 LEU 28 3HD2 LEU 28 -0.873 -1.695 2.029
185 HD22 LEU 28 1HD2 LEU 28 -1.858 -0.334 1.493
186 HD23 LEU 28 2HD2 LEU 28 -0.630 -0.097 2.736
187 H THR 29 H THR 29 3.173 -2.311 0.818
188 HA THR 29 HA THR 29 4.133 -0.011 1.992
189 HB THR 29 HB THR 29 5.669 -2.593 1.635
190 HG1 THR 29 HG1 THR 29 4.748 -3.006 3.762
191 HG21 THR 29 3HG2 THR 29 6.824 -0.403 2.473
192 HG22 THR 29 1HG2 THR 29 7.092 -1.921 3.329
193 HG23 THR 29 2HG2 THR 29 5.946 -0.739 3.965
194 H ARG 30 H ARG 30 5.564 -1.824 -0.711
195 HA ARG 30 HA ARG 30 7.854 -0.276 -1.059
196 HB2 ARG 30 1HB ARG 30 6.238 -1.680 -3.195
197 HB3 ARG 30 2HB ARG 30 7.911 -1.161 -3.343
198 HG2 ARG 30 1HG ARG 30 8.497 -2.697 -1.485
199 HG3 ARG 30 2HG ARG 30 6.831 -3.282 -1.502
200 HD2 ARG 30 1HD ARG 30 7.926 -4.836 -2.825
201 HD3 ARG 30 2HD ARG 30 7.265 -3.715 -4.015
202 HE ARG 30 HE ARG 30 9.963 -3.135 -3.155
203 HH11 ARG 30 1HH1 ARG 30 7.936 -4.783 -5.457
204 HH12 ARG 30 2HH1 ARG 30 9.168 -4.875 -6.672
205 HH21 ARG 30 1HH2 ARG 30 11.593 -3.251 -4.746
206 HH22 ARG 30 2HH2 ARG 30 11.248 -4.004 -6.266
207 H HIS 31 H HIS 31 4.561 0.233 -2.169
208 HA HIS 31 HA HIS 31 5.158 2.383 -3.934
209 HB2 HIS 31 1HB HIS 31 3.106 1.403 -4.399
210 HB3 HIS 31 2HB HIS 31 2.662 1.281 -2.699
211 HD1 HIS 31 HD1 HIS 31 2.955 3.865 -5.449
212 HD2 HIS 31 HD2 HIS 31 1.111 3.330 -1.765
213 HE1 HIS 31 HE1 HIS 31 1.405 5.827 -5.182
214 H GLN 32 H GLN 32 3.556 2.384 -0.743
215 HA GLN 32 HA GLN 32 3.282 5.001 -0.222
216 HB2 GLN 32 1HB GLN 32 4.191 2.770 1.565
217 HB3 GLN 32 2HB GLN 32 4.047 4.405 2.196
218 HG2 GLN 32 1HG GLN 32 1.668 4.357 1.262
219 HG3 GLN 32 2HG GLN 32 1.899 2.615 1.127
220 HE21 GLN 32 1HE2 GLN 32 1.613 1.386 2.876
221 HE22 GLN 32 2HE2 GLN 32 1.331 1.981 4.473
222 H LYS 33 H LYS 33 6.301 3.326 -0.541
223 HA LYS 33 HA LYS 33 8.083 4.968 0.763
224 HB2 LYS 33 1HB LYS 33 8.449 3.637 -1.928
225 HB3 LYS 33 2HB LYS 33 9.749 4.261 -0.922
226 HG2 LYS 33 1HG LYS 33 7.881 2.253 0.232
227 HG3 LYS 33 2HG LYS 33 9.124 1.720 -0.901
228 HD2 LYS 33 1HD LYS 33 9.881 3.502 1.372
229 HD3 LYS 33 2HD LYS 33 9.608 1.784 1.673
230 HE2 LYS 33 1HE LYS 33 11.269 1.221 -0.028
231 HE3 LYS 33 2HE LYS 33 11.529 2.935 -0.350
232 HZ1 LYS 33 3HZ LYS 33 11.844 2.534 2.390
233 HZ2 LYS 33 1HZ LYS 33 13.030 2.952 1.257
234 HZ3 LYS 33 2HZ LYS 33 12.733 1.324 1.610
235 H ILE 34 H ILE 34 6.806 5.360 -2.532
236 HA ILE 34 HA ILE 34 8.224 7.672 -3.207
237 HB ILE 34 HB ILE 34 6.676 8.000 -4.976
238 HG12 ILE 34 1HG1 ILE 34 4.752 6.105 -3.621
239 HG13 ILE 34 2HG1 ILE 34 4.646 7.856 -3.471
240 HG21 ILE 34 1HG2 ILE 34 6.182 5.287 -5.332
241 HG22 ILE 34 2HG2 ILE 34 7.596 6.188 -5.878
242 HG23 ILE 34 3HG2 ILE 34 7.629 5.352 -4.326
243 HD11 ILE 34 3HD1 ILE 34 3.134 6.833 -5.173
244 HD12 ILE 34 1HD1 ILE 34 4.192 8.105 -5.785
245 HD13 ILE 34 2HD1 ILE 34 4.571 6.412 -6.104
246 H HIS 35 H HIS 35 5.324 7.227 -1.307
247 HA HIS 35 HA HIS 35 4.537 9.969 -1.294
248 HB2 HIS 35 1HB HIS 35 3.787 7.567 0.352
249 HB3 HIS 35 2HB HIS 35 3.198 9.172 0.773
250 HD1 HIS 35 HD1 HIS 35 1.303 10.124 -0.611
251 HD2 HIS 35 HD2 HIS 35 2.799 6.558 -2.131
252 HE1 HIS 35 HE1 HIS 35 -0.313 9.429 -2.408
253 H THR 36 H THR 36 6.772 8.056 0.538
254 HA THR 36 HA THR 36 7.003 9.397 2.919
255 HB THR 36 HB THR 36 8.358 7.376 2.027
256 HG1 THR 36 HG1 THR 36 9.980 9.147 3.490
257 HG21 THR 36 3HG2 THR 36 10.549 9.325 1.554
258 HG22 THR 36 1HG2 THR 36 9.383 9.080 0.255
259 HG23 THR 36 2HG2 THR 36 10.305 7.713 0.882
260 H ARG 37 H ARG 37 7.865 10.506 -0.248
261 HA ARG 37 HA ARG 37 9.144 12.889 0.913
262 HB2 ARG 37 1HB ARG 37 10.115 13.247 -1.333
263 HB3 ARG 37 2HB ARG 37 10.593 11.708 -0.631
264 HG2 ARG 37 1HG ARG 37 9.276 10.483 -2.096
265 HG3 ARG 37 2HG ARG 37 8.262 11.872 -2.496
266 HD2 ARG 37 1HD ARG 37 9.665 11.462 -4.372
267 HD3 ARG 37 2HD ARG 37 10.274 12.910 -3.572
268 HE ARG 37 HE ARG 37 11.775 10.980 -2.466
269 HH11 ARG 37 1HH1 ARG 37 10.978 11.708 -5.776
270 HH12 ARG 37 2HH1 ARG 37 12.467 11.089 -6.408
271 HH21 ARG 37 1HH2 ARG 37 13.740 10.162 -3.286
272 HH22 ARG 37 2HH2 ARG 37 14.037 10.208 -4.991
273 H LYS 38 H LYS 38 6.511 12.986 1.193
274 HA LYS 38 HA LYS 38 4.764 13.724 -0.717
275 HB2 LYS 38 1HB LYS 38 3.839 15.402 0.947
276 HB3 LYS 38 2HB LYS 38 4.023 13.753 1.531
277 HG2 LYS 38 1HG LYS 38 4.856 14.959 3.293
278 HG3 LYS 38 2HG LYS 38 6.330 14.607 2.387
279 HD2 LYS 38 1HD LYS 38 6.569 16.773 1.672
280 HD3 LYS 38 2HD LYS 38 4.837 17.105 1.755
281 HE2 LYS 38 1HE LYS 38 5.041 16.980 4.257
282 HE3 LYS 38 2HE LYS 38 6.790 16.918 4.042
283 HZ1 LYS 38 3HZ LYS 38 5.346 19.177 4.304
284 HZ2 LYS 38 1HZ LYS 38 5.509 19.074 2.623
285 HZ3 LYS 38 2HZ LYS 38 6.885 19.093 3.607
286 H SER 39 H SER 39 7.578 15.514 0.257
287 HA SER 39 HA SER 39 7.140 18.072 -0.501
288 HB2 SER 39 1HB SER 39 9.345 16.877 0.211
289 HB3 SER 39 2HB SER 39 9.611 16.701 -1.524
290 HG SER 39 HG SER 39 10.378 18.651 -1.369
291 H GLY 40 H GLY 40 7.904 15.400 -2.722
292 HA2 GLY 40 1HA GLY 40 6.695 15.269 -4.829
293 HA3 GLY 40 2HA GLY 40 6.740 17.025 -4.894
294 HA PRO 41 HA PRO 41 10.108 15.510 -7.644
295 HB2 PRO 41 1HB PRO 41 9.687 17.391 -9.555
296 HB3 PRO 41 2HB PRO 41 8.792 15.868 -9.492
297 HG2 PRO 41 1HG PRO 41 7.973 18.587 -8.545
298 HG3 PRO 41 2HG PRO 41 7.026 17.379 -9.433
299 HD2 PRO 41 1HD PRO 41 6.786 17.742 -6.760
300 HD3 PRO 41 2HD PRO 41 6.567 16.158 -7.532
301 H SER 42 H SER 42 9.216 18.799 -6.682
302 HA SER 42 HA SER 42 11.459 20.225 -7.293
303 HB2 SER 42 1HB SER 42 9.685 21.420 -6.297
304 HB3 SER 42 2HB SER 42 9.649 20.360 -4.888
305 HG SER 42 HG SER 42 11.603 22.297 -5.562
306 H SER 43 H SER 43 13.443 20.658 -6.333
307 HA SER 43 HA SER 43 15.444 19.878 -5.503
308 HB2 SER 43 1HB SER 43 13.553 20.260 -3.231
309 HB3 SER 43 2HB SER 43 15.112 19.515 -2.881
310 HG SER 43 HG SER 43 14.567 22.078 -3.925
311 H GLY 44 H GLY 44 14.052 17.782 -6.730
312 HA2 GLY 44 1HA GLY 44 15.388 15.541 -6.182
313 HA3 GLY 44 2HA GLY 44 14.161 15.501 -4.925
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -29.616 3.718 10.197
2 HA2 GLY 1 1HA GLY 1 -28.968 1.819 11.635
3 HA3 GLY 1 2HA GLY 1 -30.642 1.293 11.541
4 H SER 2 H SER 2 -27.628 1.614 9.778
5 HA SER 2 HA SER 2 -28.677 0.158 7.493
6 HB2 SER 2 1HB SER 2 -27.133 1.986 7.048
7 HB3 SER 2 2HB SER 2 -25.911 1.242 8.078
8 HG SER 2 HG SER 2 -25.943 -0.550 6.594
9 H SER 3 H SER 3 -28.216 -1.925 6.963
10 HA SER 3 HA SER 3 -26.717 -3.482 8.966
11 HB2 SER 3 1HB SER 3 -29.038 -4.313 7.210
12 HB3 SER 3 2HB SER 3 -28.119 -5.420 8.229
13 HG SER 3 HG SER 3 -29.249 -3.106 9.351
14 H GLY 4 H GLY 4 -25.430 -5.244 8.225
15 HA2 GLY 4 1HA GLY 4 -24.310 -4.741 5.565
16 HA3 GLY 4 2HA GLY 4 -23.540 -5.651 6.856
17 H SER 5 H SER 5 -24.625 -6.043 3.889
18 HA SER 5 HA SER 5 -26.147 -8.490 4.278
19 HB2 SER 5 1HB SER 5 -26.785 -6.899 2.487
20 HB3 SER 5 2HB SER 5 -25.226 -7.175 1.709
21 HG SER 5 HG SER 5 -25.816 -9.355 1.446
22 H SER 6 H SER 6 -23.116 -7.526 2.673
23 HA SER 6 HA SER 6 -22.303 -10.266 2.317
24 HB2 SER 6 1HB SER 6 -21.733 -8.236 0.809
25 HB3 SER 6 2HB SER 6 -20.483 -7.889 2.004
26 HG SER 6 HG SER 6 -19.435 -9.207 0.681
27 H GLY 7 H GLY 7 -21.548 -11.449 3.939
28 HA2 GLY 7 1HA GLY 7 -20.688 -10.395 6.413
29 HA3 GLY 7 2HA GLY 7 -20.481 -12.056 5.878
30 H THR 8 H THR 8 -18.863 -9.373 6.856
31 HA THR 8 HA THR 8 -16.670 -9.149 5.153
32 HB THR 8 HB THR 8 -16.719 -8.799 8.157
33 HG1 THR 8 HG1 THR 8 -18.086 -7.482 6.492
34 HG21 THR 8 3HG2 THR 8 -14.844 -7.100 7.414
35 HG22 THR 8 1HG2 THR 8 -14.671 -8.224 6.067
36 HG23 THR 8 2HG2 THR 8 -14.462 -8.794 7.723
37 H ASP 9 H ASP 9 -15.688 -10.963 4.431
38 HA ASP 9 HA ASP 9 -14.784 -12.942 6.405
39 HB2 ASP 9 1HB ASP 9 -15.431 -13.064 3.493
40 HB3 ASP 9 2HB ASP 9 -14.228 -14.183 4.129
41 H SER 10 H SER 10 -13.607 -11.252 3.496
42 HA SER 10 HA SER 10 -10.862 -11.616 4.487
43 HB2 SER 10 1HB SER 10 -11.624 -12.411 2.129
44 HB3 SER 10 2HB SER 10 -11.536 -10.702 1.704
45 HG SER 10 HG SER 10 -9.575 -12.010 1.370
46 H LYS 11 H LYS 11 -9.383 -9.747 3.613
47 HA LYS 11 HA LYS 11 -10.718 -7.173 4.128
48 HB2 LYS 11 1HB LYS 11 -8.753 -6.440 5.396
49 HB3 LYS 11 2HB LYS 11 -9.492 -7.855 6.133
50 HG2 LYS 11 1HG LYS 11 -7.256 -8.256 4.214
51 HG3 LYS 11 2HG LYS 11 -6.891 -7.668 5.838
52 HD2 LYS 11 1HD LYS 11 -8.639 -10.068 5.424
53 HD3 LYS 11 2HD LYS 11 -6.880 -10.214 5.408
54 HE2 LYS 11 1HE LYS 11 -7.271 -10.586 7.624
55 HE3 LYS 11 2HE LYS 11 -7.104 -8.831 7.649
56 HZ1 LYS 11 3HZ LYS 11 -9.162 -8.653 8.406
57 HZ2 LYS 11 1HZ LYS 11 -9.278 -10.339 8.486
58 HZ3 LYS 11 2HZ LYS 11 -9.780 -9.522 7.092
59 H SER 12 H SER 12 -9.092 -5.317 3.553
60 HA SER 12 HA SER 12 -7.496 -5.972 1.196
61 HB2 SER 12 1HB SER 12 -9.861 -5.408 0.471
62 HB3 SER 12 2HB SER 12 -9.578 -3.783 1.094
63 HG SER 12 HG SER 12 -7.796 -4.958 -0.747
64 H TYR 13 H TYR 13 -5.920 -4.426 0.678
65 HA TYR 13 HA TYR 13 -5.430 -2.457 2.813
66 HB2 TYR 13 1HB TYR 13 -3.315 -3.526 0.959
67 HB3 TYR 13 2HB TYR 13 -3.112 -2.762 2.532
68 HD1 TYR 13 HD2 TYR 13 -4.773 -4.184 4.340
69 HD2 TYR 13 HD1 TYR 13 -2.596 -5.713 1.020
70 HE1 TYR 13 HE2 TYR 13 -4.707 -6.398 5.410
71 HE2 TYR 13 HE1 TYR 13 -2.525 -7.931 2.080
72 HH TYR 13 HH TYR 13 -3.786 -8.451 5.338
73 H ASN 14 H ASN 14 -5.391 -0.366 2.306
74 HA ASN 14 HA ASN 14 -5.080 0.388 -0.523
75 HB2 ASN 14 1HB ASN 14 -7.393 0.685 -0.103
76 HB3 ASN 14 2HB ASN 14 -7.095 1.383 1.486
77 HD21 ASN 14 1HD2 ASN 14 -7.817 2.044 -1.678
78 HD22 ASN 14 2HD2 ASN 14 -7.421 3.726 -1.705
79 H CYS 15 H CYS 15 -4.043 2.356 -0.942
80 HA CYS 15 HA CYS 15 -2.237 3.203 1.175
81 HB2 CYS 15 1HB CYS 15 -1.433 2.707 -1.152
82 HB3 CYS 15 2HB CYS 15 -2.323 4.123 -1.704
83 H ASN 16 H ASN 16 -3.943 4.231 2.435
84 HA ASN 16 HA ASN 16 -5.688 6.167 1.837
85 HB2 ASN 16 1HB ASN 16 -4.855 5.312 4.155
86 HB3 ASN 16 2HB ASN 16 -3.789 6.713 4.098
87 HD21 ASN 16 1HD2 ASN 16 -6.592 5.676 5.304
88 HD22 ASN 16 2HD2 ASN 16 -7.469 7.162 5.393
89 H GLU 17 H GLU 17 -2.192 6.572 1.891
90 HA GLU 17 HA GLU 17 -1.872 9.276 1.774
91 HB2 GLU 17 1HB GLU 17 -0.417 7.285 0.026
92 HB3 GLU 17 2HB GLU 17 0.147 8.894 0.455
93 HG2 GLU 17 1HG GLU 17 -0.363 6.694 2.441
94 HG3 GLU 17 2HG GLU 17 1.213 7.061 1.740
95 H CYS 18 H CYS 18 -2.235 7.226 -1.126
96 HA CYS 18 HA CYS 18 -3.201 9.593 -2.578
97 HB2 CYS 18 1HB CYS 18 -2.678 8.261 -4.630
98 HB3 CYS 18 2HB CYS 18 -1.272 8.605 -3.627
99 H GLY 19 H GLY 19 -3.898 6.175 -1.962
100 HA2 GLY 19 1HA GLY 19 -6.224 5.579 -1.511
101 HA3 GLY 19 2HA GLY 19 -6.686 6.711 -2.774
102 H LYS 20 H LYS 20 -4.391 3.990 -2.533
103 HA LYS 20 HA LYS 20 -5.711 2.798 -4.877
104 HB2 LYS 20 1HB LYS 20 -3.369 3.975 -5.189
105 HB3 LYS 20 2HB LYS 20 -2.764 2.476 -4.497
106 HG2 LYS 20 1HG LYS 20 -3.867 1.210 -6.272
107 HG3 LYS 20 2HG LYS 20 -4.473 2.715 -6.966
108 HD2 LYS 20 1HD LYS 20 -2.054 3.452 -7.132
109 HD3 LYS 20 2HD LYS 20 -1.618 1.785 -6.748
110 HE2 LYS 20 1HE LYS 20 -3.192 1.173 -8.704
111 HE3 LYS 20 2HE LYS 20 -3.022 2.865 -9.166
112 HZ1 LYS 20 3HZ LYS 20 -1.417 1.362 -10.264
113 HZ2 LYS 20 1HZ LYS 20 -0.736 1.017 -8.753
114 HZ3 LYS 20 2HZ LYS 20 -0.672 2.590 -9.370
115 H ALA 21 H ALA 21 -6.249 0.719 -4.651
116 HA ALA 21 HA ALA 21 -5.563 -0.636 -2.178
117 HB1 ALA 21 3HB ALA 21 -7.437 -1.852 -2.473
118 HB2 ALA 21 1HB ALA 21 -7.851 -0.558 -3.597
119 HB3 ALA 21 2HB ALA 21 -7.158 -2.063 -4.201
120 H PHE 22 H PHE 22 -4.090 -2.197 -1.963
121 HA PHE 22 HA PHE 22 -2.885 -3.304 -4.413
122 HB2 PHE 22 1HB PHE 22 -1.623 -2.772 -1.718
123 HB3 PHE 22 2HB PHE 22 -0.826 -3.633 -3.030
124 HD1 PHE 22 HD1 PHE 22 -2.227 -0.376 -2.009
125 HD2 PHE 22 HD2 PHE 22 0.185 -2.474 -4.818
126 HE1 PHE 22 HE1 PHE 22 -1.438 1.766 -2.926
127 HE2 PHE 22 HE2 PHE 22 0.979 -0.336 -5.739
128 HZ PHE 22 HZ PHE 22 0.168 1.788 -4.793
129 H THR 23 H THR 23 -3.475 -5.335 -4.746
130 HA THR 23 HA THR 23 -4.828 -7.014 -3.061
131 HB THR 23 HB THR 23 -4.664 -7.594 -5.372
132 HG1 THR 23 HG1 THR 23 -4.516 -9.322 -3.584
133 HG21 THR 23 3HG2 THR 23 -1.930 -8.582 -5.431
134 HG22 THR 23 1HG2 THR 23 -2.007 -6.843 -5.152
135 HG23 THR 23 2HG2 THR 23 -2.778 -7.542 -6.576
136 H ARG 24 H ARG 24 -1.366 -6.482 -3.243
137 HA ARG 24 HA ARG 24 -0.895 -8.551 -1.225
138 HB2 ARG 24 1HB ARG 24 1.012 -6.920 -2.909
139 HB3 ARG 24 2HB ARG 24 1.521 -8.074 -1.684
140 HG2 ARG 24 1HG ARG 24 0.930 -9.885 -2.941
141 HG3 ARG 24 2HG ARG 24 -0.328 -9.007 -3.813
142 HD2 ARG 24 1HD ARG 24 1.213 -7.983 -5.241
143 HD3 ARG 24 2HD ARG 24 2.571 -8.333 -4.172
144 HE ARG 24 HE ARG 24 1.320 -10.702 -5.173
145 HH11 ARG 24 1HH1 ARG 24 3.606 -8.184 -5.918
146 HH12 ARG 24 2HH1 ARG 24 4.496 -9.147 -7.050
147 HH21 ARG 24 1HH2 ARG 24 2.485 -11.981 -6.660
148 HH22 ARG 24 2HH2 ARG 24 3.857 -11.307 -7.472
149 H ILE 25 H ILE 25 0.558 -8.025 0.591
150 HA ILE 25 HA ILE 25 -0.220 -5.477 1.767
151 HB ILE 25 HB ILE 25 -0.455 -7.574 3.075
152 HG12 ILE 25 1HG1 ILE 25 0.972 -6.650 5.090
153 HG13 ILE 25 2HG1 ILE 25 1.241 -5.290 4.006
154 HG21 ILE 25 1HG2 ILE 25 1.935 -8.288 2.073
155 HG22 ILE 25 2HG2 ILE 25 2.435 -7.684 3.652
156 HG23 ILE 25 3HG2 ILE 25 1.247 -8.983 3.541
157 HD11 ILE 25 3HD1 ILE 25 -0.904 -5.668 5.716
158 HD12 ILE 25 1HD1 ILE 25 -0.767 -4.463 4.436
159 HD13 ILE 25 2HD1 ILE 25 -1.549 -6.010 4.111
160 H PHE 26 H PHE 26 2.645 -7.172 0.670
161 HA PHE 26 HA PHE 26 4.484 -5.246 1.745
162 HB2 PHE 26 1HB PHE 26 6.198 -6.508 0.635
163 HB3 PHE 26 2HB PHE 26 5.052 -7.655 1.320
164 HD1 PHE 26 HD1 PHE 26 3.381 -8.752 -0.183
165 HD2 PHE 26 HD2 PHE 26 6.634 -6.446 -1.672
166 HE1 PHE 26 HE1 PHE 26 3.107 -9.799 -2.393
167 HE2 PHE 26 HE2 PHE 26 6.365 -7.488 -3.884
168 HZ PHE 26 HZ PHE 26 4.599 -9.167 -4.247
169 H HIS 27 H HIS 27 3.099 -5.936 -1.438
170 HA HIS 27 HA HIS 27 4.558 -4.104 -2.947
171 HB2 HIS 27 1HB HIS 27 2.803 -5.914 -3.655
172 HB3 HIS 27 2HB HIS 27 1.653 -4.587 -3.515
173 HD2 HIS 27 HD2 HIS 27 4.181 -2.529 -4.851
174 HE1 HIS 27 HE1 HIS 27 3.030 -4.725 -8.293
175 HE2 HIS 27 HE2 HIS 27 4.306 -2.735 -7.426
176 H LEU 28 H LEU 28 2.241 -3.551 -0.518
177 HA LEU 28 HA LEU 28 1.430 -0.944 -1.475
178 HB2 LEU 28 1HB LEU 28 -0.285 -1.906 -0.296
179 HB3 LEU 28 2HB LEU 28 0.798 -2.657 0.874
180 HG LEU 28 HG LEU 28 1.135 -0.461 1.938
181 HD11 LEU 28 1HD1 LEU 28 0.417 0.674 -0.347
182 HD12 LEU 28 2HD1 LEU 28 0.218 1.486 1.205
183 HD13 LEU 28 3HD1 LEU 28 -1.158 0.686 0.446
184 HD21 LEU 28 3HD2 LEU 28 -1.260 -2.032 1.912
185 HD22 LEU 28 1HD2 LEU 28 -1.660 -0.340 2.209
186 HD23 LEU 28 2HD2 LEU 28 -0.506 -1.169 3.254
187 H THR 29 H THR 29 3.110 -2.107 1.452
188 HA THR 29 HA THR 29 3.926 0.317 2.467
189 HB THR 29 HB THR 29 4.264 -2.111 3.382
190 HG1 THR 29 HG1 THR 29 4.834 -0.592 4.797
191 HG21 THR 29 3HG2 THR 29 6.546 -2.930 3.177
192 HG22 THR 29 1HG2 THR 29 6.952 -1.590 2.106
193 HG23 THR 29 2HG2 THR 29 5.797 -2.817 1.585
194 H ARG 30 H ARG 30 5.561 -1.686 0.039
195 HA ARG 30 HA ARG 30 7.849 -0.053 -0.223
196 HB2 ARG 30 1HB ARG 30 8.363 -1.334 -2.168
197 HB3 ARG 30 2HB ARG 30 7.621 -2.431 -1.011
198 HG2 ARG 30 1HG ARG 30 5.636 -2.563 -2.225
199 HG3 ARG 30 2HG ARG 30 6.000 -1.106 -3.152
200 HD2 ARG 30 1HD ARG 30 6.311 -3.021 -4.568
201 HD3 ARG 30 2HD ARG 30 7.887 -2.315 -4.213
202 HE ARG 30 HE ARG 30 7.189 -4.416 -2.403
203 HH11 ARG 30 1HH1 ARG 30 8.497 -3.718 -5.552
204 HH12 ARG 30 2HH1 ARG 30 9.396 -5.196 -5.650
205 HH21 ARG 30 1HH2 ARG 30 8.368 -6.365 -2.519
206 HH22 ARG 30 2HH2 ARG 30 9.322 -6.701 -3.924
207 H HIS 31 H HIS 31 4.645 0.126 -1.560
208 HA HIS 31 HA HIS 31 5.275 1.925 -3.687
209 HB2 HIS 31 1HB HIS 31 3.283 0.850 -4.108
210 HB3 HIS 31 2HB HIS 31 2.776 0.898 -2.422
211 HD1 HIS 31 HD1 HIS 31 2.497 2.714 -5.618
212 HD2 HIS 31 HD2 HIS 31 1.628 3.396 -1.613
213 HE1 HIS 31 HE1 HIS 31 0.973 4.715 -5.591
214 H GLN 32 H GLN 32 3.660 2.386 -0.540
215 HA GLN 32 HA GLN 32 3.167 5.027 -0.493
216 HB2 GLN 32 1HB GLN 32 4.320 3.275 1.662
217 HB3 GLN 32 2HB GLN 32 3.929 4.962 1.968
218 HG2 GLN 32 1HG GLN 32 1.601 4.469 1.195
219 HG3 GLN 32 2HG GLN 32 2.046 2.764 1.160
220 HE21 GLN 32 1HE2 GLN 32 1.437 1.694 2.884
221 HE22 GLN 32 2HE2 GLN 32 1.307 2.321 4.488
222 H LYS 33 H LYS 33 6.305 3.568 -0.604
223 HA LYS 33 HA LYS 33 7.965 5.541 0.359
224 HB2 LYS 33 1HB LYS 33 8.468 3.901 -2.130
225 HB3 LYS 33 2HB LYS 33 9.684 4.657 -1.109
226 HG2 LYS 33 1HG LYS 33 7.811 2.479 -0.210
227 HG3 LYS 33 2HG LYS 33 9.472 2.225 -0.752
228 HD2 LYS 33 1HD LYS 33 9.830 2.354 1.499
229 HD3 LYS 33 2HD LYS 33 9.962 4.066 1.091
230 HE2 LYS 33 1HE LYS 33 7.368 4.028 1.523
231 HE3 LYS 33 2HE LYS 33 7.766 2.599 2.475
232 HZ1 LYS 33 3HZ LYS 33 9.007 5.272 2.835
233 HZ2 LYS 33 1HZ LYS 33 9.281 3.902 3.789
234 HZ3 LYS 33 2HZ LYS 33 7.763 4.647 3.796
235 H ILE 34 H ILE 34 6.653 5.257 -2.935
236 HA ILE 34 HA ILE 34 7.840 7.385 -4.168
237 HB ILE 34 HB ILE 34 5.931 7.547 -5.632
238 HG12 ILE 34 1HG1 ILE 34 4.320 5.649 -3.986
239 HG13 ILE 34 2HG1 ILE 34 4.348 7.343 -3.511
240 HG21 ILE 34 1HG2 ILE 34 6.166 5.493 -6.554
241 HG22 ILE 34 2HG2 ILE 34 7.423 5.347 -5.326
242 HG23 ILE 34 3HG2 ILE 34 5.827 4.653 -5.041
243 HD11 ILE 34 3HD1 ILE 34 2.806 7.784 -5.024
244 HD12 ILE 34 1HD1 ILE 34 3.890 7.234 -6.301
245 HD13 ILE 34 2HD1 ILE 34 2.798 6.092 -5.518
246 H HIS 35 H HIS 35 5.536 7.470 -1.599
247 HA HIS 35 HA HIS 35 4.850 10.256 -2.004
248 HB2 HIS 35 1HB HIS 35 4.205 8.443 0.329
249 HB3 HIS 35 2HB HIS 35 3.473 10.008 -0.011
250 HD1 HIS 35 HD1 HIS 35 2.854 9.644 -3.003
251 HD2 HIS 35 HD2 HIS 35 2.095 6.775 -0.095
252 HE1 HIS 35 HE1 HIS 35 1.038 8.186 -3.954
253 H THR 36 H THR 36 7.620 9.781 -1.699
254 HA THR 36 HA THR 36 8.131 11.067 0.906
255 HB THR 36 HB THR 36 9.105 8.741 0.598
256 HG1 THR 36 HG1 THR 36 9.933 10.412 2.063
257 HG21 THR 36 3HG2 THR 36 10.287 8.297 -1.236
258 HG22 THR 36 1HG2 THR 36 11.472 9.511 -0.756
259 HG23 THR 36 2HG2 THR 36 10.107 9.965 -1.778
260 H ARG 37 H ARG 37 7.402 12.589 -1.299
261 HA ARG 37 HA ARG 37 9.950 13.875 -2.036
262 HB2 ARG 37 1HB ARG 37 7.360 13.802 -3.596
263 HB3 ARG 37 2HB ARG 37 8.795 14.707 -4.061
264 HG2 ARG 37 1HG ARG 37 8.835 11.732 -3.662
265 HG3 ARG 37 2HG ARG 37 8.419 12.480 -5.205
266 HD2 ARG 37 1HD ARG 37 10.969 13.079 -3.723
267 HD3 ARG 37 2HD ARG 37 10.833 11.788 -4.916
268 HE ARG 37 HE ARG 37 10.001 14.405 -5.826
269 HH11 ARG 37 1HH1 ARG 37 12.592 12.093 -5.571
270 HH12 ARG 37 2HH1 ARG 37 13.504 12.776 -6.877
271 HH21 ARG 37 1HH2 ARG 37 11.192 15.312 -7.547
272 HH22 ARG 37 2HH2 ARG 37 12.707 14.607 -7.999
273 H LYS 38 H LYS 38 6.868 14.219 -0.570
274 HA LYS 38 HA LYS 38 7.025 17.139 -0.579
275 HB2 LYS 38 1HB LYS 38 4.879 15.206 0.293
276 HB3 LYS 38 2HB LYS 38 4.783 16.935 0.602
277 HG2 LYS 38 1HG LYS 38 3.555 16.702 -1.333
278 HG3 LYS 38 2HG LYS 38 5.143 17.166 -1.949
279 HD2 LYS 38 1HD LYS 38 4.451 15.372 -3.307
280 HD3 LYS 38 2HD LYS 38 5.611 14.674 -2.173
281 HE2 LYS 38 1HE LYS 38 3.491 14.175 -0.744
282 HE3 LYS 38 2HE LYS 38 2.637 14.378 -2.273
283 HZ1 LYS 38 3HZ LYS 38 3.087 12.135 -2.239
284 HZ2 LYS 38 1HZ LYS 38 4.601 12.324 -1.509
285 HZ3 LYS 38 2HZ LYS 38 4.394 12.721 -3.139
286 H SER 39 H SER 39 7.053 18.364 1.333
287 HA SER 39 HA SER 39 7.675 18.903 3.455
288 HB2 SER 39 1HB SER 39 5.836 17.322 4.069
289 HB3 SER 39 2HB SER 39 7.031 16.027 4.146
290 HG SER 39 HG SER 39 6.370 17.573 6.092
291 H GLY 40 H GLY 40 9.660 18.139 1.617
292 HA2 GLY 40 1HA GLY 40 11.851 17.723 3.374
293 HA3 GLY 40 2HA GLY 40 11.507 16.253 2.475
294 HA PRO 41 HA PRO 41 13.914 19.605 -0.018
295 HB2 PRO 41 1HB PRO 41 16.482 19.044 0.661
296 HB3 PRO 41 2HB PRO 41 15.509 20.256 1.502
297 HG2 PRO 41 1HG PRO 41 16.104 17.429 2.286
298 HG3 PRO 41 2HG PRO 41 16.089 18.889 3.292
299 HD2 PRO 41 1HD PRO 41 14.031 17.130 3.247
300 HD3 PRO 41 2HD PRO 41 13.794 18.871 3.506
301 H SER 42 H SER 42 15.407 19.125 -1.798
302 HA SER 42 HA SER 42 14.853 16.600 -2.968
303 HB2 SER 42 1HB SER 42 15.324 18.870 -4.125
304 HB3 SER 42 2HB SER 42 17.025 18.443 -3.939
305 HG SER 42 HG SER 42 16.439 16.426 -5.030
306 H SER 43 H SER 43 16.015 14.766 -3.059
307 HA SER 43 HA SER 43 18.476 14.663 -1.476
308 HB2 SER 43 1HB SER 43 16.642 13.083 -0.920
309 HB3 SER 43 2HB SER 43 16.783 12.386 -2.533
310 HG SER 43 HG SER 43 18.697 12.361 -0.447
311 H GLY 44 H GLY 44 19.955 15.493 -2.965
312 HA2 GLY 44 1HA GLY 44 21.579 14.001 -4.395
313 HA3 GLY 44 2HA GLY 44 20.238 14.102 -5.526
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -28.743 -16.711 20.520
2 HA2 GLY 1 1HA GLY 1 -26.932 -14.441 21.078
3 HA3 GLY 1 2HA GLY 1 -26.598 -16.077 21.627
4 H SER 2 H SER 2 -25.265 -14.082 19.716
5 HA SER 2 HA SER 2 -24.899 -15.995 17.503
6 HB2 SER 2 1HB SER 2 -24.809 -12.971 17.363
7 HB3 SER 2 2HB SER 2 -24.431 -14.061 16.028
8 HG SER 2 HG SER 2 -26.483 -14.148 15.644
9 H SER 3 H SER 3 -22.907 -16.761 17.303
10 HA SER 3 HA SER 3 -20.833 -16.281 19.038
11 HB2 SER 3 1HB SER 3 -19.350 -17.265 17.237
12 HB3 SER 3 2HB SER 3 -20.765 -18.231 17.655
13 HG SER 3 HG SER 3 -20.329 -16.631 15.369
14 H GLY 4 H GLY 4 -21.645 -14.571 16.085
15 HA2 GLY 4 1HA GLY 4 -20.993 -12.463 15.399
16 HA3 GLY 4 2HA GLY 4 -20.048 -12.322 16.874
17 H SER 5 H SER 5 -19.667 -12.016 13.762
18 HA SER 5 HA SER 5 -17.445 -13.755 13.230
19 HB2 SER 5 1HB SER 5 -18.384 -11.299 11.727
20 HB3 SER 5 2HB SER 5 -17.234 -12.497 11.133
21 HG SER 5 HG SER 5 -19.898 -12.553 11.022
22 H SER 6 H SER 6 -15.441 -13.471 13.920
23 HA SER 6 HA SER 6 -14.612 -11.182 15.355
24 HB2 SER 6 1HB SER 6 -13.153 -13.580 14.263
25 HB3 SER 6 2HB SER 6 -12.292 -12.275 15.080
26 HG SER 6 HG SER 6 -14.151 -12.732 16.720
27 H GLY 7 H GLY 7 -14.342 -9.254 14.432
28 HA2 GLY 7 1HA GLY 7 -13.601 -7.617 13.005
29 HA3 GLY 7 2HA GLY 7 -12.289 -8.718 12.611
30 H THR 8 H THR 8 -12.129 -9.174 10.531
31 HA THR 8 HA THR 8 -14.572 -9.551 8.956
32 HB THR 8 HB THR 8 -13.483 -8.310 7.047
33 HG1 THR 8 HG1 THR 8 -11.817 -6.866 7.601
34 HG21 THR 8 3HG2 THR 8 -15.304 -7.358 8.440
35 HG22 THR 8 1HG2 THR 8 -14.209 -6.132 7.803
36 HG23 THR 8 2HG2 THR 8 -14.084 -6.637 9.488
37 H ASP 9 H ASP 9 -14.487 -11.333 7.751
38 HA ASP 9 HA ASP 9 -12.338 -13.116 7.825
39 HB2 ASP 9 1HB ASP 9 -13.595 -14.103 5.738
40 HB3 ASP 9 2HB ASP 9 -14.340 -14.160 7.333
41 H SER 10 H SER 10 -13.338 -10.841 5.295
42 HA SER 10 HA SER 10 -10.782 -11.346 3.923
43 HB2 SER 10 1HB SER 10 -13.498 -10.564 2.931
44 HB3 SER 10 2HB SER 10 -12.073 -10.085 2.010
45 HG SER 10 HG SER 10 -11.582 -12.522 2.432
46 H LYS 11 H LYS 11 -9.348 -9.735 3.670
47 HA LYS 11 HA LYS 11 -10.187 -7.004 4.380
48 HB2 LYS 11 1HB LYS 11 -8.210 -6.645 5.655
49 HB3 LYS 11 2HB LYS 11 -8.902 -8.161 6.219
50 HG2 LYS 11 1HG LYS 11 -7.282 -9.427 4.982
51 HG3 LYS 11 2HG LYS 11 -6.655 -7.960 4.225
52 HD2 LYS 11 1HD LYS 11 -5.123 -8.370 5.926
53 HD3 LYS 11 2HD LYS 11 -6.208 -7.178 6.648
54 HE2 LYS 11 1HE LYS 11 -6.795 -10.082 6.995
55 HE3 LYS 11 2HE LYS 11 -5.518 -9.345 7.961
56 HZ1 LYS 11 3HZ LYS 11 -8.303 -9.211 8.338
57 HZ2 LYS 11 1HZ LYS 11 -7.718 -7.647 8.065
58 HZ3 LYS 11 2HZ LYS 11 -7.074 -8.584 9.317
59 H SER 12 H SER 12 -8.323 -5.418 3.745
60 HA SER 12 HA SER 12 -6.931 -6.214 1.320
61 HB2 SER 12 1HB SER 12 -7.921 -4.562 -0.098
62 HB3 SER 12 2HB SER 12 -9.250 -5.448 0.648
63 HG SER 12 HG SER 12 -8.785 -2.844 0.720
64 H TYR 13 H TYR 13 -5.324 -4.692 0.646
65 HA TYR 13 HA TYR 13 -4.559 -2.811 2.781
66 HB2 TYR 13 1HB TYR 13 -2.619 -4.055 0.845
67 HB3 TYR 13 2HB TYR 13 -2.284 -3.297 2.398
68 HD1 TYR 13 HD2 TYR 13 -3.700 -4.523 4.399
69 HD2 TYR 13 HD1 TYR 13 -2.344 -6.336 0.796
70 HE1 TYR 13 HE2 TYR 13 -3.761 -6.726 5.491
71 HE2 TYR 13 HE1 TYR 13 -2.403 -8.544 1.878
72 HH TYR 13 HH TYR 13 -3.998 -9.379 4.268
73 H ASN 14 H ASN 14 -5.442 -0.947 1.984
74 HA ASN 14 HA ASN 14 -4.655 -0.124 -0.726
75 HB2 ASN 14 1HB ASN 14 -6.701 1.301 0.953
76 HB3 ASN 14 2HB ASN 14 -6.540 1.269 -0.801
77 HD21 ASN 14 1HD2 ASN 14 -7.834 -0.037 -1.877
78 HD22 ASN 14 2HD2 ASN 14 -8.719 -1.362 -1.209
79 H CYS 15 H CYS 15 -3.980 2.088 -1.060
80 HA CYS 15 HA CYS 15 -2.209 2.980 1.055
81 HB2 CYS 15 1HB CYS 15 -1.377 2.896 -1.247
82 HB3 CYS 15 2HB CYS 15 -2.627 4.029 -1.752
83 H ASN 16 H ASN 16 -2.479 4.726 2.317
84 HA ASN 16 HA ASN 16 -4.943 6.283 1.947
85 HB2 ASN 16 1HB ASN 16 -4.691 5.053 4.092
86 HB3 ASN 16 2HB ASN 16 -3.242 5.994 4.433
87 HD21 ASN 16 1HD2 ASN 16 -3.706 7.370 5.987
88 HD22 ASN 16 2HD2 ASN 16 -5.106 8.380 6.065
89 H GLU 17 H GLU 17 -2.704 6.900 0.358
90 HA GLU 17 HA GLU 17 -2.028 9.560 1.420
91 HB2 GLU 17 1HB GLU 17 -0.195 7.705 -0.110
92 HB3 GLU 17 2HB GLU 17 0.179 9.373 0.301
93 HG2 GLU 17 1HG GLU 17 -0.462 7.300 2.375
94 HG3 GLU 17 2HG GLU 17 1.173 7.588 1.783
95 H CYS 18 H CYS 18 -2.651 7.527 -1.371
96 HA CYS 18 HA CYS 18 -3.149 9.961 -2.957
97 HB2 CYS 18 1HB CYS 18 -2.507 8.688 -4.965
98 HB3 CYS 18 2HB CYS 18 -1.182 8.792 -3.811
99 H GLY 19 H GLY 19 -4.082 6.602 -2.353
100 HA2 GLY 19 1HA GLY 19 -6.486 6.189 -2.066
101 HA3 GLY 19 2HA GLY 19 -6.752 7.261 -3.433
102 H LYS 20 H LYS 20 -4.542 4.518 -2.906
103 HA LYS 20 HA LYS 20 -5.698 3.267 -5.312
104 HB2 LYS 20 1HB LYS 20 -2.856 3.505 -4.386
105 HB3 LYS 20 2HB LYS 20 -3.338 2.150 -5.399
106 HG2 LYS 20 1HG LYS 20 -4.296 3.934 -6.978
107 HG3 LYS 20 2HG LYS 20 -3.310 5.071 -6.055
108 HD2 LYS 20 1HD LYS 20 -2.041 2.578 -7.081
109 HD3 LYS 20 2HD LYS 20 -2.370 3.891 -8.214
110 HE2 LYS 20 1HE LYS 20 -1.138 5.427 -6.697
111 HE3 LYS 20 2HE LYS 20 -0.719 4.039 -5.694
112 HZ1 LYS 20 3HZ LYS 20 -0.073 3.540 -8.408
113 HZ2 LYS 20 1HZ LYS 20 0.940 3.539 -7.053
114 HZ3 LYS 20 2HZ LYS 20 0.655 4.978 -7.893
115 H ALA 21 H ALA 21 -5.260 0.847 -5.375
116 HA ALA 21 HA ALA 21 -5.522 -0.304 -2.675
117 HB1 ALA 21 3HB ALA 21 -7.323 -1.603 -3.271
118 HB2 ALA 21 1HB ALA 21 -7.641 -0.135 -4.196
119 HB3 ALA 21 2HB ALA 21 -6.936 -1.543 -4.990
120 H PHE 22 H PHE 22 -4.523 -2.255 -2.297
121 HA PHE 22 HA PHE 22 -3.103 -3.537 -4.511
122 HB2 PHE 22 1HB PHE 22 -1.729 -2.845 -1.910
123 HB3 PHE 22 2HB PHE 22 -1.002 -3.577 -3.336
124 HD1 PHE 22 HD1 PHE 22 -2.469 -0.475 -1.985
125 HD2 PHE 22 HD2 PHE 22 -0.223 -2.256 -5.131
126 HE1 PHE 22 HE1 PHE 22 -1.875 1.761 -2.823
127 HE2 PHE 22 HE2 PHE 22 0.375 -0.023 -5.974
128 HZ PHE 22 HZ PHE 22 -0.451 1.989 -4.819
129 H THR 23 H THR 23 -3.714 -5.588 -4.492
130 HA THR 23 HA THR 23 -5.012 -6.869 -2.368
131 HB THR 23 HB THR 23 -5.274 -7.654 -4.655
132 HG1 THR 23 HG1 THR 23 -5.358 -9.151 -2.761
133 HG21 THR 23 3HG2 THR 23 -3.593 -8.322 -6.025
134 HG22 THR 23 1HG2 THR 23 -2.656 -9.030 -4.709
135 HG23 THR 23 2HG2 THR 23 -2.629 -7.287 -4.973
136 H ARG 24 H ARG 24 -1.644 -6.485 -3.088
137 HA ARG 24 HA ARG 24 -0.914 -8.466 -1.050
138 HB2 ARG 24 1HB ARG 24 0.703 -7.072 -3.184
139 HB3 ARG 24 2HB ARG 24 1.426 -8.066 -1.926
140 HG2 ARG 24 1HG ARG 24 0.461 -10.024 -2.756
141 HG3 ARG 24 2HG ARG 24 -0.715 -9.138 -3.728
142 HD2 ARG 24 1HD ARG 24 1.045 -8.357 -5.198
143 HD3 ARG 24 2HD ARG 24 2.265 -9.135 -4.191
144 HE ARG 24 HE ARG 24 1.800 -11.108 -5.240
145 HH11 ARG 24 1HH1 ARG 24 -0.853 -8.914 -5.755
146 HH12 ARG 24 2HH1 ARG 24 -1.678 -9.964 -6.858
147 HH21 ARG 24 1HH2 ARG 24 0.723 -12.500 -6.691
148 HH22 ARG 24 2HH2 ARG 24 -0.781 -12.004 -7.389
149 H ILE 25 H ILE 25 0.205 -7.923 0.782
150 HA ILE 25 HA ILE 25 -0.062 -5.229 1.705
151 HB ILE 25 HB ILE 25 -0.318 -7.142 3.228
152 HG12 ILE 25 1HG1 ILE 25 1.307 -6.276 5.023
153 HG13 ILE 25 2HG1 ILE 25 1.858 -5.137 3.799
154 HG21 ILE 25 1HG2 ILE 25 1.396 -8.599 3.806
155 HG22 ILE 25 2HG2 ILE 25 1.611 -8.401 2.068
156 HG23 ILE 25 3HG2 ILE 25 2.651 -7.524 3.190
157 HD11 ILE 25 3HD1 ILE 25 0.174 -4.207 5.344
158 HD12 ILE 25 1HD1 ILE 25 -0.323 -4.158 3.653
159 HD13 ILE 25 2HD1 ILE 25 -0.989 -5.384 4.734
160 H PHE 26 H PHE 26 2.647 -7.283 0.732
161 HA PHE 26 HA PHE 26 4.689 -5.444 1.406
162 HB2 PHE 26 1HB PHE 26 6.163 -6.952 0.459
163 HB3 PHE 26 2HB PHE 26 4.797 -8.003 0.817
164 HD1 PHE 26 HD2 PHE 26 6.173 -5.888 -1.923
165 HD2 PHE 26 HD1 PHE 26 3.958 -9.359 -0.844
166 HE1 PHE 26 HE2 PHE 26 6.074 -6.556 -4.289
167 HE2 PHE 26 HE1 PHE 26 3.856 -10.033 -3.209
168 HZ PHE 26 HZ PHE 26 4.914 -8.630 -4.935
169 H HIS 27 H HIS 27 2.779 -5.970 -1.498
170 HA HIS 27 HA HIS 27 4.283 -4.253 -3.186
171 HB2 HIS 27 1HB HIS 27 2.753 -5.992 -4.047
172 HB3 HIS 27 2HB HIS 27 1.382 -5.084 -3.415
173 HD2 HIS 27 HD2 HIS 27 4.323 -3.599 -5.600
174 HE1 HIS 27 HE1 HIS 27 0.623 -2.986 -7.584
175 HE2 HIS 27 HE2 HIS 27 3.115 -2.630 -7.672
176 H LEU 28 H LEU 28 1.988 -3.689 -0.705
177 HA LEU 28 HA LEU 28 1.226 -1.061 -1.653
178 HB2 LEU 28 1HB LEU 28 -0.502 -2.106 -0.513
179 HB3 LEU 28 2HB LEU 28 0.570 -2.729 0.739
180 HG LEU 28 HG LEU 28 0.793 -0.421 1.625
181 HD11 LEU 28 1HD1 LEU 28 -0.442 1.372 0.821
182 HD12 LEU 28 2HD1 LEU 28 -1.537 0.337 -0.095
183 HD13 LEU 28 3HD1 LEU 28 0.119 0.580 -0.652
184 HD21 LEU 28 3HD2 LEU 28 -1.453 -0.327 2.614
185 HD22 LEU 28 1HD2 LEU 28 -0.797 -1.964 2.615
186 HD23 LEU 28 2HD2 LEU 28 -2.016 -1.503 1.426
187 H THR 29 H THR 29 3.051 -2.386 1.101
188 HA THR 29 HA THR 29 3.823 0.016 2.265
189 HB THR 29 HB THR 29 4.190 -2.451 3.056
190 HG1 THR 29 HG1 THR 29 6.366 -0.786 3.677
191 HG21 THR 29 3HG2 THR 29 6.465 -3.253 2.762
192 HG22 THR 29 1HG2 THR 29 6.852 -1.857 1.757
193 HG23 THR 29 2HG2 THR 29 5.689 -3.056 1.191
194 H ARG 30 H ARG 30 5.413 -1.860 -0.290
195 HA ARG 30 HA ARG 30 7.691 -0.212 -0.523
196 HB2 ARG 30 1HB ARG 30 8.181 -1.406 -2.514
197 HB3 ARG 30 2HB ARG 30 7.407 -2.556 -1.432
198 HG2 ARG 30 1HG ARG 30 5.519 -2.705 -2.709
199 HG3 ARG 30 2HG ARG 30 5.710 -1.081 -3.375
200 HD2 ARG 30 1HD ARG 30 7.497 -3.415 -4.044
201 HD3 ARG 30 2HD ARG 30 6.110 -2.919 -5.014
202 HE ARG 30 HE ARG 30 8.689 -1.714 -4.981
203 HH11 ARG 30 1HH1 ARG 30 5.296 -1.033 -5.362
204 HH12 ARG 30 2HH1 ARG 30 5.555 0.375 -6.338
205 HH21 ARG 30 1HH2 ARG 30 9.043 0.139 -6.264
206 HH22 ARG 30 2HH2 ARG 30 7.686 1.040 -6.851
207 H HIS 31 H HIS 31 4.478 0.384 -1.287
208 HA HIS 31 HA HIS 31 5.116 2.278 -3.425
209 HB2 HIS 31 1HB HIS 31 3.234 1.002 -4.016
210 HB3 HIS 31 2HB HIS 31 2.549 1.096 -2.396
211 HD1 HIS 31 HD1 HIS 31 3.228 3.376 -5.356
212 HD2 HIS 31 HD2 HIS 31 0.679 3.041 -2.093
213 HE1 HIS 31 HE1 HIS 31 1.540 5.219 -5.630
214 H GLN 32 H GLN 32 3.302 2.227 -0.355
215 HA GLN 32 HA GLN 32 2.717 4.877 -0.071
216 HB2 GLN 32 1HB GLN 32 3.492 2.803 1.961
217 HB3 GLN 32 2HB GLN 32 3.094 4.444 2.450
218 HG2 GLN 32 1HG GLN 32 0.957 3.971 0.960
219 HG3 GLN 32 2HG GLN 32 1.350 2.304 1.380
220 HE21 GLN 32 1HE2 GLN 32 0.835 1.560 3.346
221 HE22 GLN 32 2HE2 GLN 32 0.143 2.511 4.611
222 H LYS 33 H LYS 33 5.829 3.422 -0.031
223 HA LYS 33 HA LYS 33 7.110 5.682 1.267
224 HB2 LYS 33 1HB LYS 33 9.123 4.429 1.158
225 HB3 LYS 33 2HB LYS 33 7.854 3.282 1.566
226 HG2 LYS 33 1HG LYS 33 7.999 2.195 -0.427
227 HG3 LYS 33 2HG LYS 33 8.521 3.637 -1.302
228 HD2 LYS 33 1HD LYS 33 10.491 2.485 -1.278
229 HD3 LYS 33 2HD LYS 33 10.652 3.351 0.251
230 HE2 LYS 33 1HE LYS 33 9.393 1.214 1.173
231 HE3 LYS 33 2HE LYS 33 10.097 0.474 -0.264
232 HZ1 LYS 33 3HZ LYS 33 11.568 0.202 1.600
233 HZ2 LYS 33 1HZ LYS 33 11.576 1.867 1.902
234 HZ3 LYS 33 2HZ LYS 33 12.281 1.260 0.489
235 H ILE 34 H ILE 34 5.669 5.850 -1.384
236 HA ILE 34 HA ILE 34 7.908 6.926 -2.971
237 HB ILE 34 HB ILE 34 6.764 6.450 -4.974
238 HG12 ILE 34 1HG1 ILE 34 4.392 5.265 -4.640
239 HG13 ILE 34 2HG1 ILE 34 4.383 6.267 -3.193
240 HG21 ILE 34 1HG2 ILE 34 7.548 4.381 -4.671
241 HG22 ILE 34 2HG2 ILE 34 7.026 4.337 -2.988
242 HG23 ILE 34 3HG2 ILE 34 5.887 3.941 -4.275
243 HD11 ILE 34 3HD1 ILE 34 3.567 7.028 -5.697
244 HD12 ILE 34 1HD1 ILE 34 3.949 8.108 -4.357
245 HD13 ILE 34 2HD1 ILE 34 5.177 7.736 -5.567
246 H HIS 35 H HIS 35 5.320 7.772 -1.084
247 HA HIS 35 HA HIS 35 4.651 10.175 -2.612
248 HB2 HIS 35 1HB HIS 35 3.451 9.004 -0.095
249 HB3 HIS 35 2HB HIS 35 2.911 10.502 -0.847
250 HD1 HIS 35 HD1 HIS 35 2.433 9.956 -3.646
251 HD2 HIS 35 HD2 HIS 35 1.785 7.010 -0.789
252 HE1 HIS 35 HE1 HIS 35 0.850 8.320 -4.714
253 H THR 36 H THR 36 7.243 10.182 -1.719
254 HA THR 36 HA THR 36 7.271 11.833 0.701
255 HB THR 36 HB THR 36 9.776 11.613 0.505
256 HG1 THR 36 HG1 THR 36 9.328 9.460 -1.254
257 HG21 THR 36 3HG2 THR 36 8.012 9.197 0.824
258 HG22 THR 36 1HG2 THR 36 8.737 10.201 2.079
259 HG23 THR 36 2HG2 THR 36 9.751 9.131 1.110
260 H ARG 37 H ARG 37 8.431 11.875 -2.659
261 HA ARG 37 HA ARG 37 9.247 14.632 -2.481
262 HB2 ARG 37 1HB ARG 37 9.101 12.658 -4.755
263 HB3 ARG 37 2HB ARG 37 9.569 14.336 -4.993
264 HG2 ARG 37 1HG ARG 37 11.330 13.867 -3.167
265 HG3 ARG 37 2HG ARG 37 11.009 12.169 -3.525
266 HD2 ARG 37 1HD ARG 37 11.806 12.346 -5.699
267 HD3 ARG 37 2HD ARG 37 11.600 14.097 -5.735
268 HE ARG 37 HE ARG 37 13.546 13.206 -3.818
269 HH11 ARG 37 1HH1 ARG 37 12.998 14.079 -7.144
270 HH12 ARG 37 2HH1 ARG 37 14.651 14.505 -7.440
271 HH21 ARG 37 1HH2 ARG 37 15.725 13.764 -4.196
272 HH22 ARG 37 2HH2 ARG 37 16.202 14.325 -5.763
273 H LYS 38 H LYS 38 8.469 16.081 -4.406
274 HA LYS 38 HA LYS 38 5.819 16.790 -3.926
275 HB2 LYS 38 1HB LYS 38 7.858 17.512 -5.969
276 HB3 LYS 38 2HB LYS 38 6.187 17.940 -6.312
277 HG2 LYS 38 1HG LYS 38 7.193 19.817 -5.280
278 HG3 LYS 38 2HG LYS 38 6.119 19.086 -4.084
279 HD2 LYS 38 1HD LYS 38 8.960 18.210 -4.133
280 HD3 LYS 38 2HD LYS 38 8.597 19.810 -3.483
281 HE2 LYS 38 1HE LYS 38 7.031 18.831 -1.901
282 HE3 LYS 38 2HE LYS 38 7.322 17.230 -2.579
283 HZ1 LYS 38 3HZ LYS 38 9.138 16.997 -1.346
284 HZ2 LYS 38 1HZ LYS 38 8.675 18.387 -0.500
285 HZ3 LYS 38 2HZ LYS 38 9.750 18.507 -1.801
286 H SER 39 H SER 39 4.055 15.659 -4.383
287 HA SER 39 HA SER 39 3.983 14.114 -6.890
288 HB2 SER 39 1HB SER 39 2.838 13.597 -4.172
289 HB3 SER 39 2HB SER 39 2.019 12.937 -5.587
290 HG SER 39 HG SER 39 3.992 11.918 -6.149
291 H GLY 40 H GLY 40 1.836 15.862 -4.637
292 HA2 GLY 40 1HA GLY 40 0.372 17.607 -5.286
293 HA3 GLY 40 2HA GLY 40 0.487 17.052 -6.949
294 HA PRO 41 HA PRO 41 -2.635 14.181 -4.566
295 HB2 PRO 41 1HB PRO 41 -3.695 15.286 -2.324
296 HB3 PRO 41 2HB PRO 41 -2.250 14.268 -2.302
297 HG2 PRO 41 1HG PRO 41 -2.465 17.253 -2.248
298 HG3 PRO 41 2HG PRO 41 -1.407 16.190 -1.302
299 HD2 PRO 41 1HD PRO 41 -0.543 17.536 -3.487
300 HD3 PRO 41 2HD PRO 41 0.101 15.947 -3.028
301 H SER 42 H SER 42 -4.083 14.535 -6.179
302 HA SER 42 HA SER 42 -5.907 15.339 -7.276
303 HB2 SER 42 1HB SER 42 -6.561 16.656 -4.630
304 HB3 SER 42 2HB SER 42 -7.688 16.336 -5.948
305 HG SER 42 HG SER 42 -6.223 14.232 -4.788
306 H SER 43 H SER 43 -3.557 16.773 -7.625
307 HA SER 43 HA SER 43 -4.644 19.405 -8.265
308 HB2 SER 43 1HB SER 43 -3.369 19.437 -6.021
309 HB3 SER 43 2HB SER 43 -1.917 19.219 -6.999
310 HG SER 43 HG SER 43 -2.376 21.147 -8.051
311 H GLY 44 H GLY 44 -3.228 20.612 -9.781
312 HA2 GLY 44 1HA GLY 44 -1.609 18.763 -11.423
313 HA3 GLY 44 2HA GLY 44 -2.733 19.909 -12.138
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -22.003 -8.194 -14.006
2 HA2 GLY 1 1HA GLY 1 -23.017 -10.427 -14.289
3 HA3 GLY 1 2HA GLY 1 -21.607 -10.518 -13.244
4 H SER 2 H SER 2 -21.852 -11.358 -11.271
5 HA SER 2 HA SER 2 -24.600 -11.661 -10.246
6 HB2 SER 2 1HB SER 2 -22.325 -13.601 -10.377
7 HB3 SER 2 2HB SER 2 -23.470 -13.720 -9.041
8 HG SER 2 HG SER 2 -25.027 -13.508 -11.023
9 H SER 3 H SER 3 -24.621 -12.079 -7.824
10 HA SER 3 HA SER 3 -22.532 -10.514 -6.468
11 HB2 SER 3 1HB SER 3 -24.856 -9.355 -6.923
12 HB3 SER 3 2HB SER 3 -25.371 -10.318 -5.538
13 HG SER 3 HG SER 3 -22.990 -8.893 -5.293
14 H GLY 4 H GLY 4 -21.616 -11.620 -4.876
15 HA2 GLY 4 1HA GLY 4 -22.777 -12.875 -2.758
16 HA3 GLY 4 2HA GLY 4 -22.734 -14.124 -3.993
17 H SER 5 H SER 5 -21.234 -13.376 -1.338
18 HA SER 5 HA SER 5 -18.583 -14.132 -2.373
19 HB2 SER 5 1HB SER 5 -18.894 -11.697 -1.471
20 HB3 SER 5 2HB SER 5 -18.857 -12.472 0.113
21 HG SER 5 HG SER 5 -16.864 -12.978 -1.821
22 H SER 6 H SER 6 -17.215 -15.235 -0.761
23 HA SER 6 HA SER 6 -18.820 -17.140 0.746
24 HB2 SER 6 1HB SER 6 -15.947 -17.063 -0.147
25 HB3 SER 6 2HB SER 6 -16.487 -18.222 1.068
26 HG SER 6 HG SER 6 -17.326 -19.361 -0.473
27 H GLY 7 H GLY 7 -19.092 -17.047 2.876
28 HA2 GLY 7 1HA GLY 7 -18.876 -16.392 5.065
29 HA3 GLY 7 2HA GLY 7 -17.144 -16.401 4.764
30 H THR 8 H THR 8 -18.127 -14.608 6.534
31 HA THR 8 HA THR 8 -18.330 -12.062 5.085
32 HB THR 8 HB THR 8 -18.763 -12.509 8.040
33 HG1 THR 8 HG1 THR 8 -20.245 -13.659 6.514
34 HG21 THR 8 3HG2 THR 8 -20.280 -10.370 6.965
35 HG22 THR 8 1HG2 THR 8 -18.622 -10.185 6.393
36 HG23 THR 8 2HG2 THR 8 -18.951 -10.292 8.122
37 H ASP 9 H ASP 9 -15.821 -13.378 5.191
38 HA ASP 9 HA ASP 9 -14.306 -11.431 6.793
39 HB2 ASP 9 1HB ASP 9 -13.742 -14.384 6.484
40 HB3 ASP 9 2HB ASP 9 -12.574 -13.232 7.125
41 H SER 10 H SER 10 -13.059 -10.206 5.559
42 HA SER 10 HA SER 10 -11.580 -11.338 3.344
43 HB2 SER 10 1HB SER 10 -13.776 -10.744 2.335
44 HB3 SER 10 2HB SER 10 -13.528 -9.074 2.844
45 HG SER 10 HG SER 10 -11.764 -10.511 1.149
46 H LYS 11 H LYS 11 -9.673 -10.333 3.066
47 HA LYS 11 HA LYS 11 -9.199 -7.898 4.644
48 HB2 LYS 11 1HB LYS 11 -6.743 -8.590 4.297
49 HB3 LYS 11 2HB LYS 11 -7.718 -9.537 5.413
50 HG2 LYS 11 1HG LYS 11 -7.949 -11.304 3.860
51 HG3 LYS 11 2HG LYS 11 -7.305 -10.322 2.543
52 HD2 LYS 11 1HD LYS 11 -5.436 -11.528 3.055
53 HD3 LYS 11 2HD LYS 11 -5.216 -10.175 4.167
54 HE2 LYS 11 1HE LYS 11 -6.313 -11.511 5.939
55 HE3 LYS 11 2HE LYS 11 -6.406 -12.869 4.819
56 HZ1 LYS 11 3HZ LYS 11 -4.301 -12.211 6.488
57 HZ2 LYS 11 1HZ LYS 11 -3.764 -11.872 4.920
58 HZ3 LYS 11 2HZ LYS 11 -4.331 -13.418 5.304
59 H SER 12 H SER 12 -8.057 -6.156 3.756
60 HA SER 12 HA SER 12 -7.161 -6.154 1.041
61 HB2 SER 12 1HB SER 12 -8.783 -4.709 0.059
62 HB3 SER 12 2HB SER 12 -9.691 -6.003 0.841
63 HG SER 12 HG SER 12 -9.825 -3.370 1.276
64 H TYR 13 H TYR 13 -5.624 -4.653 0.807
65 HA TYR 13 HA TYR 13 -5.459 -2.536 2.850
66 HB2 TYR 13 1HB TYR 13 -3.120 -3.571 1.259
67 HB3 TYR 13 2HB TYR 13 -3.101 -2.657 2.763
68 HD1 TYR 13 HD2 TYR 13 -4.065 -3.821 4.851
69 HD2 TYR 13 HD1 TYR 13 -2.983 -5.899 1.300
70 HE1 TYR 13 HE2 TYR 13 -3.923 -5.917 6.129
71 HE2 TYR 13 HE1 TYR 13 -2.839 -8.002 2.568
72 HH TYR 13 HH TYR 13 -2.647 -8.166 5.841
73 H ASN 14 H ASN 14 -5.526 -0.485 2.199
74 HA ASN 14 HA ASN 14 -4.903 0.144 -0.601
75 HB2 ASN 14 1HB ASN 14 -7.313 1.196 0.898
76 HB3 ASN 14 2HB ASN 14 -6.849 1.617 -0.749
77 HD21 ASN 14 1HD2 ASN 14 -9.202 0.842 -0.865
78 HD22 ASN 14 2HD2 ASN 14 -9.418 -0.823 -1.273
79 H CYS 15 H CYS 15 -3.703 1.933 -0.877
80 HA CYS 15 HA CYS 15 -2.580 3.229 1.395
81 HB2 CYS 15 1HB CYS 15 -1.347 2.857 -0.730
82 HB3 CYS 15 2HB CYS 15 -2.401 4.026 -1.518
83 H ASN 16 H ASN 16 -3.062 5.131 2.337
84 HA ASN 16 HA ASN 16 -5.500 6.474 1.462
85 HB2 ASN 16 1HB ASN 16 -5.353 5.854 3.819
86 HB3 ASN 16 2HB ASN 16 -3.863 6.778 3.989
87 HD21 ASN 16 1HD2 ASN 16 -7.173 7.253 2.795
88 HD22 ASN 16 2HD2 ASN 16 -7.399 8.796 3.538
89 H GLU 17 H GLU 17 -2.067 7.004 1.734
90 HA GLU 17 HA GLU 17 -1.866 9.748 1.653
91 HB2 GLU 17 1HB GLU 17 -0.185 7.569 0.455
92 HB3 GLU 17 2HB GLU 17 0.225 9.257 0.186
93 HG2 GLU 17 1HG GLU 17 1.484 8.869 2.026
94 HG3 GLU 17 2HG GLU 17 -0.014 9.361 2.815
95 H CYS 18 H CYS 18 -2.303 7.524 -1.080
96 HA CYS 18 HA CYS 18 -2.969 9.848 -2.764
97 HB2 CYS 18 1HB CYS 18 -2.381 8.413 -4.698
98 HB3 CYS 18 2HB CYS 18 -1.023 8.665 -3.605
99 H GLY 19 H GLY 19 -3.814 6.454 -2.121
100 HA2 GLY 19 1HA GLY 19 -6.177 5.952 -1.720
101 HA3 GLY 19 2HA GLY 19 -6.561 7.095 -2.999
102 H LYS 20 H LYS 20 -4.575 4.167 -2.548
103 HA LYS 20 HA LYS 20 -5.775 3.088 -5.003
104 HB2 LYS 20 1HB LYS 20 -2.895 3.510 -4.388
105 HB3 LYS 20 2HB LYS 20 -3.332 2.025 -5.222
106 HG2 LYS 20 1HG LYS 20 -4.525 3.449 -6.914
107 HG3 LYS 20 2HG LYS 20 -3.788 4.851 -6.136
108 HD2 LYS 20 1HD LYS 20 -2.071 2.563 -7.001
109 HD3 LYS 20 2HD LYS 20 -2.634 3.734 -8.196
110 HE2 LYS 20 1HE LYS 20 -1.232 4.523 -5.652
111 HE3 LYS 20 2HE LYS 20 -0.376 4.199 -7.159
112 HZ1 LYS 20 3HZ LYS 20 -0.703 6.366 -7.529
113 HZ2 LYS 20 1HZ LYS 20 -1.948 6.493 -6.390
114 HZ3 LYS 20 2HZ LYS 20 -2.282 5.923 -7.947
115 H ALA 21 H ALA 21 -6.289 0.958 -4.941
116 HA ALA 21 HA ALA 21 -5.913 -0.401 -2.377
117 HB1 ALA 21 3HB ALA 21 -7.696 -1.875 -3.071
118 HB2 ALA 21 1HB ALA 21 -8.194 -0.198 -3.296
119 HB3 ALA 21 2HB ALA 21 -7.697 -1.165 -4.685
120 H PHE 22 H PHE 22 -4.584 -2.080 -2.125
121 HA PHE 22 HA PHE 22 -3.437 -3.310 -4.544
122 HB2 PHE 22 1HB PHE 22 -2.157 -2.826 -1.848
123 HB3 PHE 22 2HB PHE 22 -1.421 -3.776 -3.135
124 HD1 PHE 22 HD2 PHE 22 -0.670 -2.691 -5.202
125 HD2 PHE 22 HD1 PHE 22 -2.200 -0.444 -1.927
126 HE1 PHE 22 HE2 PHE 22 0.300 -0.643 -6.159
127 HE2 PHE 22 HE1 PHE 22 -1.234 1.608 -2.880
128 HZ PHE 22 HZ PHE 22 0.019 1.511 -4.998
129 H THR 23 H THR 23 -2.743 -5.562 -4.306
130 HA THR 23 HA THR 23 -4.669 -7.053 -2.679
131 HB THR 23 HB THR 23 -3.859 -9.014 -4.110
132 HG1 THR 23 HG1 THR 23 -2.226 -8.547 -5.364
133 HG21 THR 23 3HG2 THR 23 -5.169 -6.727 -5.581
134 HG22 THR 23 1HG2 THR 23 -6.002 -7.779 -4.437
135 HG23 THR 23 2HG2 THR 23 -5.334 -8.449 -5.926
136 H ARG 24 H ARG 24 -1.242 -6.563 -3.142
137 HA ARG 24 HA ARG 24 -0.570 -8.711 -1.291
138 HB2 ARG 24 1HB ARG 24 0.943 -6.998 -3.197
139 HB3 ARG 24 2HB ARG 24 1.809 -7.613 -1.796
140 HG2 ARG 24 1HG ARG 24 2.076 -9.055 -3.750
141 HG3 ARG 24 2HG ARG 24 1.267 -9.889 -2.422
142 HD2 ARG 24 1HD ARG 24 -0.766 -9.921 -3.501
143 HD3 ARG 24 2HD ARG 24 -0.381 -8.513 -4.490
144 HE ARG 24 HE ARG 24 0.620 -9.898 -6.035
145 HH11 ARG 24 1HH1 ARG 24 -0.090 -11.677 -3.128
146 HH12 ARG 24 2HH1 ARG 24 0.246 -13.222 -3.836
147 HH21 ARG 24 1HH2 ARG 24 1.065 -11.926 -6.979
148 HH22 ARG 24 2HH2 ARG 24 0.904 -13.363 -6.026
149 H ILE 25 H ILE 25 1.022 -8.220 0.462
150 HA ILE 25 HA ILE 25 0.118 -5.855 1.919
151 HB ILE 25 HB ILE 25 -0.019 -7.931 3.143
152 HG12 ILE 25 1HG1 ILE 25 1.614 -7.362 5.052
153 HG13 ILE 25 2HG1 ILE 25 2.127 -6.016 4.040
154 HG21 ILE 25 1HG2 ILE 25 2.206 -9.063 3.757
155 HG22 ILE 25 2HG2 ILE 25 1.530 -9.364 2.157
156 HG23 ILE 25 3HG2 ILE 25 2.857 -8.219 2.352
157 HD11 ILE 25 3HD1 ILE 25 0.331 -4.813 4.556
158 HD12 ILE 25 1HD1 ILE 25 -0.760 -6.181 4.337
159 HD13 ILE 25 2HD1 ILE 25 0.093 -5.969 5.866
160 H PHE 26 H PHE 26 2.988 -7.245 0.492
161 HA PHE 26 HA PHE 26 4.737 -5.249 1.657
162 HB2 PHE 26 1HB PHE 26 6.337 -6.422 -0.117
163 HB3 PHE 26 2HB PHE 26 5.956 -7.177 1.427
164 HD1 PHE 26 HD2 PHE 26 5.311 -7.222 -2.184
165 HD2 PHE 26 HD1 PHE 26 4.601 -9.145 1.546
166 HE1 PHE 26 HE2 PHE 26 4.439 -9.192 -3.370
167 HE2 PHE 26 HE1 PHE 26 3.728 -11.119 0.366
168 HZ PHE 26 HZ PHE 26 3.645 -11.145 -2.095
169 H HIS 27 H HIS 27 2.921 -5.734 -1.242
170 HA HIS 27 HA HIS 27 4.380 -3.979 -2.932
171 HB2 HIS 27 1HB HIS 27 1.591 -5.106 -3.012
172 HB3 HIS 27 2HB HIS 27 2.135 -3.933 -4.207
173 HD2 HIS 27 HD2 HIS 27 5.232 -5.625 -4.115
174 HE1 HIS 27 HE1 HIS 27 2.848 -8.403 -6.260
175 HE2 HIS 27 HE2 HIS 27 5.187 -7.750 -5.590
176 H LEU 28 H LEU 28 1.753 -3.541 -0.646
177 HA LEU 28 HA LEU 28 1.157 -0.857 -1.413
178 HB2 LEU 28 1HB LEU 28 -0.607 -1.882 -0.341
179 HB3 LEU 28 2HB LEU 28 0.431 -2.636 0.867
180 HG LEU 28 HG LEU 28 0.721 -0.415 1.934
181 HD11 LEU 28 1HD1 LEU 28 -0.434 1.480 1.260
182 HD12 LEU 28 2HD1 LEU 28 -1.559 0.563 0.259
183 HD13 LEU 28 3HD1 LEU 28 0.110 0.782 -0.266
184 HD21 LEU 28 3HD2 LEU 28 -2.189 -1.131 1.665
185 HD22 LEU 28 1HD2 LEU 28 -1.362 -0.431 3.057
186 HD23 LEU 28 2HD2 LEU 28 -1.040 -2.101 2.587
187 H THR 29 H THR 29 3.103 -2.334 1.150
188 HA THR 29 HA THR 29 3.813 0.058 2.461
189 HB THR 29 HB THR 29 5.421 -2.500 2.332
190 HG1 THR 29 HG1 THR 29 3.912 -3.313 3.561
191 HG21 THR 29 3HG2 THR 29 5.425 -0.899 4.783
192 HG22 THR 29 1HG2 THR 29 6.153 -0.087 3.398
193 HG23 THR 29 2HG2 THR 29 6.765 -1.655 3.922
194 H ARG 30 H ARG 30 5.493 -1.840 -0.033
195 HA ARG 30 HA ARG 30 7.724 -0.095 -0.217
196 HB2 ARG 30 1HB ARG 30 8.493 -1.485 -1.886
197 HB3 ARG 30 2HB ARG 30 7.401 -2.568 -1.034
198 HG2 ARG 30 1HG ARG 30 5.696 -2.249 -2.687
199 HG3 ARG 30 2HG ARG 30 6.649 -0.996 -3.487
200 HD2 ARG 30 1HD ARG 30 7.750 -3.758 -3.134
201 HD3 ARG 30 2HD ARG 30 6.641 -3.400 -4.456
202 HE ARG 30 HE ARG 30 8.614 -1.464 -4.539
203 HH11 ARG 30 1HH1 ARG 30 8.405 -4.927 -4.825
204 HH12 ARG 30 2HH1 ARG 30 9.768 -5.052 -5.887
205 HH21 ARG 30 1HH2 ARG 30 10.410 -1.616 -5.937
206 HH22 ARG 30 2HH2 ARG 30 10.908 -3.168 -6.518
207 H HIS 31 H HIS 31 4.531 0.225 -1.234
208 HA HIS 31 HA HIS 31 5.090 1.867 -3.553
209 HB2 HIS 31 1HB HIS 31 3.098 0.764 -3.899
210 HB3 HIS 31 2HB HIS 31 2.636 0.841 -2.201
211 HD1 HIS 31 HD1 HIS 31 2.445 2.743 -5.401
212 HD2 HIS 31 HD2 HIS 31 1.286 3.186 -1.436
213 HE1 HIS 31 HE1 HIS 31 0.850 4.687 -5.380
214 H GLN 32 H GLN 32 3.315 2.451 -0.510
215 HA GLN 32 HA GLN 32 2.932 5.096 -0.536
216 HB2 GLN 32 1HB GLN 32 4.072 3.564 1.807
217 HB3 GLN 32 2HB GLN 32 3.294 5.137 1.911
218 HG2 GLN 32 1HG GLN 32 1.192 4.261 1.370
219 HG3 GLN 32 2HG GLN 32 1.881 2.752 0.774
220 HE21 GLN 32 1HE2 GLN 32 -0.191 2.873 2.635
221 HE22 GLN 32 2HE2 GLN 32 0.380 2.242 4.138
222 H LYS 33 H LYS 33 6.039 3.534 -0.275
223 HA LYS 33 HA LYS 33 7.676 5.511 0.679
224 HB2 LYS 33 1HB LYS 33 8.138 3.500 -1.519
225 HB3 LYS 33 2HB LYS 33 9.412 4.564 -0.937
226 HG2 LYS 33 1HG LYS 33 8.710 3.600 1.401
227 HG3 LYS 33 2HG LYS 33 8.082 2.275 0.418
228 HD2 LYS 33 1HD LYS 33 10.385 2.256 -0.698
229 HD3 LYS 33 2HD LYS 33 10.912 3.258 0.657
230 HE2 LYS 33 1HE LYS 33 10.149 1.515 2.214
231 HE3 LYS 33 2HE LYS 33 9.670 0.513 0.845
232 HZ1 LYS 33 3HZ LYS 33 11.808 -0.186 1.615
233 HZ2 LYS 33 1HZ LYS 33 12.424 1.387 1.528
234 HZ3 LYS 33 2HZ LYS 33 12.012 0.561 0.111
235 H ILE 34 H ILE 34 6.618 5.096 -2.692
236 HA ILE 34 HA ILE 34 7.945 7.085 -3.970
237 HB ILE 34 HB ILE 34 6.101 7.303 -5.507
238 HG12 ILE 34 1HG1 ILE 34 4.307 5.610 -3.827
239 HG13 ILE 34 2HG1 ILE 34 4.440 7.321 -3.436
240 HG21 ILE 34 1HG2 ILE 34 5.742 4.967 -6.084
241 HG22 ILE 34 2HG2 ILE 34 7.409 5.233 -5.577
242 HG23 ILE 34 3HG2 ILE 34 6.262 4.475 -4.472
243 HD11 ILE 34 3HD1 ILE 34 2.635 7.280 -4.855
244 HD12 ILE 34 1HD1 ILE 34 3.954 7.663 -5.961
245 HD13 ILE 34 2HD1 ILE 34 3.327 6.017 -5.872
246 H HIS 35 H HIS 35 5.537 7.466 -1.516
247 HA HIS 35 HA HIS 35 5.018 10.245 -2.082
248 HB2 HIS 35 1HB HIS 35 4.347 8.660 0.405
249 HB3 HIS 35 2HB HIS 35 3.653 10.206 -0.075
250 HD1 HIS 35 HD1 HIS 35 2.972 9.593 -3.005
251 HD2 HIS 35 HD2 HIS 35 2.204 7.004 0.152
252 HE1 HIS 35 HE1 HIS 35 1.110 8.099 -3.797
253 H THR 36 H THR 36 6.949 11.346 -1.973
254 HA THR 36 HA THR 36 8.252 11.405 0.671
255 HB THR 36 HB THR 36 10.318 12.138 -0.499
256 HG1 THR 36 HG1 THR 36 8.677 11.694 -2.769
257 HG21 THR 36 3HG2 THR 36 10.919 9.993 -0.472
258 HG22 THR 36 1HG2 THR 36 9.992 9.676 -1.938
259 HG23 THR 36 2HG2 THR 36 9.215 9.551 -0.359
260 H ARG 37 H ARG 37 8.011 13.443 -2.253
261 HA ARG 37 HA ARG 37 7.863 15.800 -0.514
262 HB2 ARG 37 1HB ARG 37 9.556 15.571 -2.442
263 HB3 ARG 37 2HB ARG 37 8.183 15.850 -3.504
264 HG2 ARG 37 1HG ARG 37 7.952 18.035 -2.865
265 HG3 ARG 37 2HG ARG 37 8.681 17.762 -1.281
266 HD2 ARG 37 1HD ARG 37 10.870 17.434 -2.408
267 HD3 ARG 37 2HD ARG 37 10.103 17.862 -3.938
268 HE ARG 37 HE ARG 37 9.570 19.931 -2.179
269 HH11 ARG 37 1HH1 ARG 37 12.366 18.432 -3.613
270 HH12 ARG 37 2HH1 ARG 37 13.316 19.881 -3.591
271 HH21 ARG 37 1HH2 ARG 37 10.811 21.845 -2.145
272 HH22 ARG 37 2HH2 ARG 37 12.431 21.821 -2.755
273 H LYS 38 H LYS 38 5.783 16.092 0.068
274 HA LYS 38 HA LYS 38 3.515 15.453 -1.417
275 HB2 LYS 38 1HB LYS 38 2.299 16.952 0.106
276 HB3 LYS 38 2HB LYS 38 3.424 15.916 0.975
277 HG2 LYS 38 1HG LYS 38 5.007 18.031 0.621
278 HG3 LYS 38 2HG LYS 38 3.442 18.848 0.598
279 HD2 LYS 38 1HD LYS 38 2.958 17.483 2.738
280 HD3 LYS 38 2HD LYS 38 4.706 17.246 2.795
281 HE2 LYS 38 1HE LYS 38 3.154 19.814 2.956
282 HE3 LYS 38 2HE LYS 38 4.286 19.139 4.128
283 HZ1 LYS 38 3HZ LYS 38 5.592 20.701 3.138
284 HZ2 LYS 38 1HZ LYS 38 4.829 20.573 1.633
285 HZ3 LYS 38 2HZ LYS 38 5.931 19.389 2.125
286 H SER 39 H SER 39 5.670 18.136 -1.673
287 HA SER 39 HA SER 39 4.600 18.995 -4.131
288 HB2 SER 39 1HB SER 39 2.827 19.860 -2.545
289 HB3 SER 39 2HB SER 39 4.056 20.933 -1.875
290 HG SER 39 HG SER 39 2.563 21.316 -4.021
291 H GLY 40 H GLY 40 5.696 20.947 -4.963
292 HA2 GLY 40 1HA GLY 40 7.439 22.634 -4.536
293 HA3 GLY 40 2HA GLY 40 8.255 21.420 -3.561
294 HA PRO 41 HA PRO 41 9.362 21.293 -8.252
295 HB2 PRO 41 1HB PRO 41 11.391 23.092 -8.375
296 HB3 PRO 41 2HB PRO 41 9.707 23.519 -8.704
297 HG2 PRO 41 1HG PRO 41 11.307 23.913 -6.205
298 HG3 PRO 41 2HG PRO 41 10.182 25.029 -7.001
299 HD2 PRO 41 1HD PRO 41 9.486 23.557 -4.838
300 HD3 PRO 41 2HD PRO 41 8.326 23.995 -6.108
301 H SER 42 H SER 42 10.790 19.744 -8.755
302 HA SER 42 HA SER 42 12.309 18.368 -6.941
303 HB2 SER 42 1HB SER 42 12.758 18.682 -9.916
304 HB3 SER 42 2HB SER 42 13.590 17.490 -8.918
305 HG SER 42 HG SER 42 11.907 16.294 -9.272
306 H SER 43 H SER 43 14.486 18.306 -6.359
307 HA SER 43 HA SER 43 15.763 20.615 -5.719
308 HB2 SER 43 1HB SER 43 17.897 19.257 -5.691
309 HB3 SER 43 2HB SER 43 16.550 18.548 -4.801
310 HG SER 43 HG SER 43 16.221 17.531 -7.088
311 H GLY 44 H GLY 44 15.790 18.993 -8.814
312 HA2 GLY 44 1HA GLY 44 16.362 21.151 -10.380
313 HA3 GLY 44 2HA GLY 44 17.945 20.558 -9.900
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -33.808 -9.492 12.719
2 HA2 GLY 1 1HA GLY 1 -33.317 -10.432 10.041
3 HA3 GLY 1 2HA GLY 1 -32.123 -10.240 11.316
4 H SER 2 H SER 2 -32.409 -12.437 9.448
5 HA SER 2 HA SER 2 -33.224 -14.632 11.220
6 HB2 SER 2 1HB SER 2 -33.431 -16.004 9.283
7 HB3 SER 2 2HB SER 2 -34.159 -14.454 8.860
8 HG SER 2 HG SER 2 -32.489 -14.000 7.567
9 H SER 3 H SER 3 -31.469 -14.904 12.537
10 HA SER 3 HA SER 3 -29.394 -15.555 13.207
11 HB2 SER 3 1HB SER 3 -30.172 -17.479 11.619
12 HB3 SER 3 2HB SER 3 -28.946 -16.834 10.528
13 HG SER 3 HG SER 3 -27.940 -18.353 11.770
14 H GLY 4 H GLY 4 -29.512 -12.980 12.192
15 HA2 GLY 4 1HA GLY 4 -28.128 -11.276 11.521
16 HA3 GLY 4 2HA GLY 4 -26.799 -12.402 11.752
17 H SER 5 H SER 5 -27.871 -10.358 9.593
18 HA SER 5 HA SER 5 -27.523 -12.125 7.270
19 HB2 SER 5 1HB SER 5 -28.535 -10.331 5.946
20 HB3 SER 5 2HB SER 5 -29.584 -10.762 7.296
21 HG SER 5 HG SER 5 -27.716 -8.682 7.581
22 H SER 6 H SER 6 -25.253 -11.491 8.759
23 HA SER 6 HA SER 6 -23.637 -10.257 6.719
24 HB2 SER 6 1HB SER 6 -24.050 -8.919 9.391
25 HB3 SER 6 2HB SER 6 -22.608 -8.635 8.415
26 HG SER 6 HG SER 6 -24.437 -8.275 6.712
27 H GLY 7 H GLY 7 -21.513 -10.897 6.813
28 HA2 GLY 7 1HA GLY 7 -20.577 -12.300 9.206
29 HA3 GLY 7 2HA GLY 7 -20.648 -13.212 7.706
30 H THR 8 H THR 8 -18.266 -12.975 8.994
31 HA THR 8 HA THR 8 -16.598 -10.866 8.509
32 HB THR 8 HB THR 8 -15.717 -12.695 9.731
33 HG1 THR 8 HG1 THR 8 -13.820 -13.248 8.356
34 HG21 THR 8 3HG2 THR 8 -16.034 -14.402 7.260
35 HG22 THR 8 1HG2 THR 8 -17.090 -14.457 8.671
36 HG23 THR 8 2HG2 THR 8 -15.394 -14.921 8.818
37 H ASP 9 H ASP 9 -15.075 -10.364 6.854
38 HA ASP 9 HA ASP 9 -15.498 -11.576 4.235
39 HB2 ASP 9 1HB ASP 9 -15.904 -8.637 4.814
40 HB3 ASP 9 2HB ASP 9 -15.700 -9.294 3.193
41 H SER 10 H SER 10 -13.785 -11.254 2.775
42 HA SER 10 HA SER 10 -11.230 -11.178 3.880
43 HB2 SER 10 1HB SER 10 -10.404 -11.092 1.583
44 HB3 SER 10 2HB SER 10 -11.768 -12.204 1.692
45 HG SER 10 HG SER 10 -11.513 -9.905 0.256
46 H LYS 11 H LYS 11 -9.874 -9.596 4.427
47 HA LYS 11 HA LYS 11 -10.744 -6.862 4.272
48 HB2 LYS 11 1HB LYS 11 -8.943 -6.353 5.690
49 HB3 LYS 11 2HB LYS 11 -9.448 -7.962 6.189
50 HG2 LYS 11 1HG LYS 11 -7.228 -7.562 4.216
51 HG3 LYS 11 2HG LYS 11 -6.946 -7.504 5.958
52 HD2 LYS 11 1HD LYS 11 -6.570 -9.723 5.619
53 HD3 LYS 11 2HD LYS 11 -8.318 -9.782 5.856
54 HE2 LYS 11 1HE LYS 11 -8.294 -9.352 3.234
55 HE3 LYS 11 2HE LYS 11 -6.715 -10.122 3.380
56 HZ1 LYS 11 3HZ LYS 11 -9.318 -11.289 3.516
57 HZ2 LYS 11 1HZ LYS 11 -8.377 -11.702 4.860
58 HZ3 LYS 11 2HZ LYS 11 -7.815 -12.034 3.299
59 H SER 12 H SER 12 -8.636 -5.315 3.822
60 HA SER 12 HA SER 12 -7.138 -6.064 1.495
61 HB2 SER 12 1HB SER 12 -9.520 -5.488 0.675
62 HB3 SER 12 2HB SER 12 -9.097 -3.819 1.057
63 HG SER 12 HG SER 12 -8.460 -5.227 -1.106
64 H TYR 13 H TYR 13 -5.598 -4.464 0.871
65 HA TYR 13 HA TYR 13 -5.116 -2.478 2.987
66 HB2 TYR 13 1HB TYR 13 -3.059 -3.483 1.028
67 HB3 TYR 13 2HB TYR 13 -2.794 -2.676 2.569
68 HD1 TYR 13 HD2 TYR 13 -3.867 -3.994 4.644
69 HD2 TYR 13 HD1 TYR 13 -2.698 -5.757 0.952
70 HE1 TYR 13 HE2 TYR 13 -3.665 -6.177 5.757
71 HE2 TYR 13 HE1 TYR 13 -2.493 -7.945 2.055
72 HH TYR 13 HH TYR 13 -3.636 -9.006 4.265
73 H ASN 14 H ASN 14 -5.742 -0.505 2.421
74 HA ASN 14 HA ASN 14 -5.301 0.365 -0.360
75 HB2 ASN 14 1HB ASN 14 -7.380 1.330 1.617
76 HB3 ASN 14 2HB ASN 14 -7.152 1.963 -0.011
77 HD21 ASN 14 1HD2 ASN 14 -8.790 1.321 -1.204
78 HD22 ASN 14 2HD2 ASN 14 -9.433 -0.281 -1.270
79 H CYS 15 H CYS 15 -4.269 2.280 -0.743
80 HA CYS 15 HA CYS 15 -2.669 3.331 1.410
81 HB2 CYS 15 1HB CYS 15 -1.602 3.086 -0.726
82 HB3 CYS 15 2HB CYS 15 -2.861 4.023 -1.524
83 H ASN 16 H ASN 16 -3.252 4.932 2.706
84 HA ASN 16 HA ASN 16 -5.537 6.596 2.005
85 HB2 ASN 16 1HB ASN 16 -4.908 7.472 4.451
86 HB3 ASN 16 2HB ASN 16 -5.842 6.001 4.193
87 HD21 ASN 16 1HD2 ASN 16 -5.225 4.449 5.494
88 HD22 ASN 16 2HD2 ASN 16 -3.604 4.107 5.984
89 H GLU 17 H GLU 17 -3.002 6.957 0.613
90 HA GLU 17 HA GLU 17 -2.457 9.744 1.398
91 HB2 GLU 17 1HB GLU 17 -0.463 7.855 0.141
92 HB3 GLU 17 2HB GLU 17 -0.157 9.490 0.711
93 HG2 GLU 17 1HG GLU 17 -0.312 8.864 2.955
94 HG3 GLU 17 2HG GLU 17 -1.110 7.341 2.567
95 H CYS 18 H CYS 18 -3.057 7.447 -1.137
96 HA CYS 18 HA CYS 18 -3.314 9.677 -3.039
97 HB2 CYS 18 1HB CYS 18 -2.419 8.303 -4.826
98 HB3 CYS 18 2HB CYS 18 -1.250 8.384 -3.512
99 H GLY 19 H GLY 19 -4.377 6.514 -1.963
100 HA2 GLY 19 1HA GLY 19 -6.705 5.960 -1.927
101 HA3 GLY 19 2HA GLY 19 -6.938 6.996 -3.327
102 H LYS 20 H LYS 20 -4.913 4.179 -2.491
103 HA LYS 20 HA LYS 20 -5.889 2.877 -4.943
104 HB2 LYS 20 1HB LYS 20 -3.497 3.867 -5.041
105 HB3 LYS 20 2HB LYS 20 -3.061 2.530 -3.985
106 HG2 LYS 20 1HG LYS 20 -3.365 0.959 -5.614
107 HG3 LYS 20 2HG LYS 20 -4.564 1.925 -6.477
108 HD2 LYS 20 1HD LYS 20 -1.731 2.866 -6.320
109 HD3 LYS 20 2HD LYS 20 -2.173 1.608 -7.476
110 HE2 LYS 20 1HE LYS 20 -3.949 3.121 -8.344
111 HE3 LYS 20 2HE LYS 20 -3.339 4.382 -7.273
112 HZ1 LYS 20 3HZ LYS 20 -1.743 3.047 -9.392
113 HZ2 LYS 20 1HZ LYS 20 -1.241 4.335 -8.417
114 HZ3 LYS 20 2HZ LYS 20 -2.477 4.563 -9.548
115 H ALA 21 H ALA 21 -5.210 0.460 -4.897
116 HA ALA 21 HA ALA 21 -5.352 -0.625 -2.176
117 HB1 ALA 21 3HB ALA 21 -7.149 -2.111 -2.714
118 HB2 ALA 21 1HB ALA 21 -7.654 -0.470 -3.117
119 HB3 ALA 21 2HB ALA 21 -7.154 -1.578 -4.395
120 H PHE 22 H PHE 22 -3.871 -2.149 -1.890
121 HA PHE 22 HA PHE 22 -2.827 -3.551 -4.262
122 HB2 PHE 22 1HB PHE 22 -1.394 -3.028 -1.650
123 HB3 PHE 22 2HB PHE 22 -0.707 -3.768 -3.092
124 HD1 PHE 22 HD2 PHE 22 -0.136 -2.431 -5.027
125 HD2 PHE 22 HD1 PHE 22 -1.774 -0.650 -1.526
126 HE1 PHE 22 HE2 PHE 22 0.554 -0.213 -5.837
127 HE2 PHE 22 HE1 PHE 22 -1.088 1.572 -2.331
128 HZ PHE 22 HZ PHE 22 0.079 1.792 -4.488
129 H THR 23 H THR 23 -3.468 -5.587 -4.387
130 HA THR 23 HA THR 23 -4.781 -7.007 -2.378
131 HB THR 23 HB THR 23 -4.752 -8.879 -3.791
132 HG1 THR 23 HG1 THR 23 -2.578 -9.205 -4.126
133 HG21 THR 23 3HG2 THR 23 -5.889 -7.858 -5.411
134 HG22 THR 23 1HG2 THR 23 -4.389 -7.286 -6.140
135 HG23 THR 23 2HG2 THR 23 -5.192 -6.320 -4.902
136 H ARG 24 H ARG 24 -1.486 -6.318 -2.695
137 HA ARG 24 HA ARG 24 -0.782 -8.509 -0.855
138 HB2 ARG 24 1HB ARG 24 1.172 -6.980 -2.567
139 HB3 ARG 24 2HB ARG 24 1.433 -8.496 -1.715
140 HG2 ARG 24 1HG ARG 24 1.169 -9.285 -3.828
141 HG3 ARG 24 2HG ARG 24 -0.514 -9.316 -3.295
142 HD2 ARG 24 1HD ARG 24 -0.857 -7.109 -4.330
143 HD3 ARG 24 2HD ARG 24 0.812 -7.131 -4.898
144 HE ARG 24 HE ARG 24 -1.420 -8.501 -6.052
145 HH11 ARG 24 1HH1 ARG 24 2.034 -8.576 -5.619
146 HH12 ARG 24 2HH1 ARG 24 2.323 -9.522 -7.041
147 HH21 ARG 24 1HH2 ARG 24 -1.052 -9.748 -7.927
148 HH22 ARG 24 2HH2 ARG 24 0.566 -10.187 -8.354
149 H ILE 25 H ILE 25 0.690 -8.030 0.858
150 HA ILE 25 HA ILE 25 0.331 -5.334 1.893
151 HB ILE 25 HB ILE 25 -0.104 -7.289 3.353
152 HG12 ILE 25 1HG1 ILE 25 1.439 -6.471 5.260
153 HG13 ILE 25 2HG1 ILE 25 2.036 -5.304 4.086
154 HG21 ILE 25 1HG2 ILE 25 2.877 -7.711 3.319
155 HG22 ILE 25 2HG2 ILE 25 1.664 -8.674 4.160
156 HG23 ILE 25 3HG2 ILE 25 1.734 -8.688 2.399
157 HD11 ILE 25 3HD1 ILE 25 -0.855 -5.595 4.859
158 HD12 ILE 25 1HD1 ILE 25 0.261 -4.434 5.578
159 HD13 ILE 25 2HD1 ILE 25 -0.135 -4.331 3.862
160 H PHE 26 H PHE 26 2.809 -7.348 0.549
161 HA PHE 26 HA PHE 26 5.015 -5.787 1.518
162 HB2 PHE 26 1HB PHE 26 6.234 -7.128 -0.349
163 HB3 PHE 26 2HB PHE 26 5.627 -7.988 1.062
164 HD1 PHE 26 HD2 PHE 26 5.191 -7.391 -2.515
165 HD2 PHE 26 HD1 PHE 26 3.746 -9.491 0.893
166 HE1 PHE 26 HE2 PHE 26 3.900 -8.882 -3.986
167 HE2 PHE 26 HE1 PHE 26 2.453 -10.986 -0.573
168 HZ PHE 26 HZ PHE 26 2.528 -10.682 -3.015
169 H HIS 27 H HIS 27 3.270 -6.068 -1.554
170 HA HIS 27 HA HIS 27 4.839 -4.308 -3.057
171 HB2 HIS 27 1HB HIS 27 2.811 -5.885 -3.703
172 HB3 HIS 27 2HB HIS 27 1.886 -4.400 -3.501
173 HD2 HIS 27 HD2 HIS 27 4.367 -2.522 -4.915
174 HE1 HIS 27 HE1 HIS 27 3.278 -4.811 -8.317
175 HE2 HIS 27 HE2 HIS 27 4.534 -2.794 -7.482
176 H LEU 28 H LEU 28 1.901 -3.680 -1.153
177 HA LEU 28 HA LEU 28 1.600 -0.982 -1.688
178 HB2 LEU 28 1HB LEU 28 -0.162 -1.782 -0.498
179 HB3 LEU 28 2HB LEU 28 0.853 -2.780 0.541
180 HG LEU 28 HG LEU 28 1.551 -0.613 1.678
181 HD11 LEU 28 1HD1 LEU 28 0.217 1.314 1.421
182 HD12 LEU 28 2HD1 LEU 28 -0.960 0.461 0.423
183 HD13 LEU 28 3HD1 LEU 28 0.649 0.805 -0.211
184 HD21 LEU 28 3HD2 LEU 28 -0.655 -2.318 2.044
185 HD22 LEU 28 1HD2 LEU 28 -1.232 -0.678 2.343
186 HD23 LEU 28 2HD2 LEU 28 0.145 -1.307 3.248
187 H THR 29 H THR 29 3.526 -2.520 0.870
188 HA THR 29 HA THR 29 4.435 -0.267 2.186
189 HB THR 29 HB THR 29 5.947 -2.833 1.658
190 HG1 THR 29 HG1 THR 29 5.195 -3.154 3.927
191 HG21 THR 29 3HG2 THR 29 7.041 -0.521 2.600
192 HG22 THR 29 1HG2 THR 29 7.618 -2.138 2.999
193 HG23 THR 29 2HG2 THR 29 6.521 -1.298 4.095
194 H ARG 30 H ARG 30 5.788 -1.836 -0.694
195 HA ARG 30 HA ARG 30 8.005 -0.078 -0.936
196 HB2 ARG 30 1HB ARG 30 6.702 -1.683 -3.138
197 HB3 ARG 30 2HB ARG 30 8.354 -1.081 -3.097
198 HG2 ARG 30 1HG ARG 30 8.818 -2.563 -1.186
199 HG3 ARG 30 2HG ARG 30 7.177 -3.200 -1.311
200 HD2 ARG 30 1HD ARG 30 7.606 -4.246 -3.344
201 HD3 ARG 30 2HD ARG 30 9.010 -3.234 -3.677
202 HE ARG 30 HE ARG 30 9.484 -4.778 -1.370
203 HH11 ARG 30 1HH1 ARG 30 9.187 -5.095 -4.824
204 HH12 ARG 30 2HH1 ARG 30 10.229 -6.476 -4.918
205 HH21 ARG 30 1HH2 ARG 30 10.857 -6.596 -1.480
206 HH22 ARG 30 2HH2 ARG 30 11.178 -7.330 -3.015
207 H HIS 31 H HIS 31 4.687 0.061 -1.962
208 HA HIS 31 HA HIS 31 5.007 2.084 -3.938
209 HB2 HIS 31 1HB HIS 31 3.015 0.928 -4.191
210 HB3 HIS 31 2HB HIS 31 2.688 0.905 -2.461
211 HD1 HIS 31 HD1 HIS 31 2.742 3.405 -5.322
212 HD2 HIS 31 HD2 HIS 31 0.890 2.771 -1.657
213 HE1 HIS 31 HE1 HIS 31 1.021 5.227 -5.114
214 H GLN 32 H GLN 32 3.700 2.218 -0.620
215 HA GLN 32 HA GLN 32 3.233 4.869 -0.327
216 HB2 GLN 32 1HB GLN 32 4.479 2.956 1.645
217 HB3 GLN 32 2HB GLN 32 3.979 4.584 2.083
218 HG2 GLN 32 1HG GLN 32 1.686 3.910 1.144
219 HG3 GLN 32 2HG GLN 32 2.290 2.257 1.258
220 HE21 GLN 32 1HE2 GLN 32 2.520 1.307 3.239
221 HE22 GLN 32 2HE2 GLN 32 1.951 2.020 4.706
222 H LYS 33 H LYS 33 6.307 3.372 -0.768
223 HA LYS 33 HA LYS 33 8.087 5.143 0.346
224 HB2 LYS 33 1HB LYS 33 8.341 3.819 -2.360
225 HB3 LYS 33 2HB LYS 33 9.666 4.472 -1.406
226 HG2 LYS 33 1HG LYS 33 7.885 2.305 -0.349
227 HG3 LYS 33 2HG LYS 33 9.292 1.952 -1.354
228 HD2 LYS 33 1HD LYS 33 10.561 3.451 0.345
229 HD3 LYS 33 2HD LYS 33 9.173 3.142 1.391
230 HE2 LYS 33 1HE LYS 33 9.606 0.651 0.759
231 HE3 LYS 33 2HE LYS 33 11.213 1.233 0.326
232 HZ1 LYS 33 3HZ LYS 33 9.963 1.011 2.955
233 HZ2 LYS 33 1HZ LYS 33 10.998 2.325 2.705
234 HZ3 LYS 33 2HZ LYS 33 11.569 0.747 2.495
235 H ILE 34 H ILE 34 6.501 5.397 -2.822
236 HA ILE 34 HA ILE 34 7.734 7.762 -3.665
237 HB ILE 34 HB ILE 34 5.932 8.010 -5.247
238 HG12 ILE 34 1HG1 ILE 34 4.399 5.728 -4.084
239 HG13 ILE 34 2HG1 ILE 34 4.224 7.313 -3.338
240 HG21 ILE 34 1HG2 ILE 34 7.074 6.387 -6.270
241 HG22 ILE 34 2HG2 ILE 34 7.256 5.461 -4.781
242 HG23 ILE 34 3HG2 ILE 34 5.784 5.309 -5.739
243 HD11 ILE 34 3HD1 ILE 34 2.857 7.984 -4.940
244 HD12 ILE 34 1HD1 ILE 34 3.995 7.501 -6.198
245 HD13 ILE 34 2HD1 ILE 34 2.854 6.327 -5.543
246 H HIS 35 H HIS 35 5.363 7.224 -1.252
247 HA HIS 35 HA HIS 35 4.463 10.000 -1.265
248 HB2 HIS 35 1HB HIS 35 3.649 7.677 0.494
249 HB3 HIS 35 2HB HIS 35 2.915 9.278 0.517
250 HD1 HIS 35 HD1 HIS 35 2.787 9.598 -2.628
251 HD2 HIS 35 HD2 HIS 35 1.437 6.329 -0.449
252 HE1 HIS 35 HE1 HIS 35 1.057 8.491 -4.079
253 H THR 36 H THR 36 6.105 7.710 0.894
254 HA THR 36 HA THR 36 6.732 9.829 2.779
255 HB THR 36 HB THR 36 7.857 8.032 4.078
256 HG1 THR 36 HG1 THR 36 6.755 6.153 2.283
257 HG21 THR 36 3HG2 THR 36 5.892 7.149 4.922
258 HG22 THR 36 1HG2 THR 36 5.156 6.989 3.328
259 HG23 THR 36 2HG2 THR 36 5.303 8.580 4.077
260 H ARG 37 H ARG 37 8.264 11.188 2.037
261 HA ARG 37 HA ARG 37 10.880 10.027 1.404
262 HB2 ARG 37 1HB ARG 37 11.194 11.676 -0.413
263 HB3 ARG 37 2HB ARG 37 9.895 10.539 -0.749
264 HG2 ARG 37 1HG ARG 37 8.412 12.436 0.313
265 HG3 ARG 37 2HG ARG 37 9.771 13.450 -0.175
266 HD2 ARG 37 1HD ARG 37 8.675 11.511 -2.146
267 HD3 ARG 37 2HD ARG 37 7.740 12.965 -1.799
268 HE ARG 37 HE ARG 37 10.169 12.798 -3.299
269 HH11 ARG 37 1HH1 ARG 37 8.248 14.859 -1.255
270 HH12 ARG 37 2HH1 ARG 37 8.892 16.328 -1.910
271 HH21 ARG 37 1HH2 ARG 37 11.025 14.725 -4.169
272 HH22 ARG 37 2HH2 ARG 37 10.471 16.251 -3.568
273 H LYS 38 H LYS 38 12.617 11.753 1.433
274 HA LYS 38 HA LYS 38 12.510 13.121 3.913
275 HB2 LYS 38 1HB LYS 38 14.484 13.123 1.638
276 HB3 LYS 38 2HB LYS 38 14.707 14.135 3.060
277 HG2 LYS 38 1HG LYS 38 15.924 12.317 3.679
278 HG3 LYS 38 2HG LYS 38 14.347 11.852 4.323
279 HD2 LYS 38 1HD LYS 38 13.927 10.404 2.495
280 HD3 LYS 38 2HD LYS 38 15.283 11.058 1.574
281 HE2 LYS 38 1HE LYS 38 16.820 10.161 3.303
282 HE3 LYS 38 2HE LYS 38 15.435 9.419 4.102
283 HZ1 LYS 38 3HZ LYS 38 16.752 7.950 2.562
284 HZ2 LYS 38 1HZ LYS 38 16.128 8.858 1.278
285 HZ3 LYS 38 2HZ LYS 38 15.084 7.991 2.286
286 H SER 39 H SER 39 10.752 14.550 3.804
287 HA SER 39 HA SER 39 11.401 17.127 2.697
288 HB2 SER 39 1HB SER 39 10.200 15.680 0.870
289 HB3 SER 39 2HB SER 39 8.750 16.036 1.810
290 HG SER 39 HG SER 39 8.972 17.636 0.287
291 H GLY 40 H GLY 40 9.616 18.741 3.213
292 HA2 GLY 40 1HA GLY 40 8.321 17.968 5.755
293 HA3 GLY 40 2HA GLY 40 9.073 19.537 5.507
294 HA PRO 41 HA PRO 41 4.478 19.300 4.107
295 HB2 PRO 41 1HB PRO 41 3.216 20.054 6.390
296 HB3 PRO 41 2HB PRO 41 3.510 18.363 5.969
297 HG2 PRO 41 1HG PRO 41 5.040 20.147 7.823
298 HG3 PRO 41 2HG PRO 41 4.561 18.453 8.041
299 HD2 PRO 41 1HD PRO 41 7.059 19.175 7.288
300 HD3 PRO 41 2HD PRO 41 6.299 17.664 6.749
301 H SER 42 H SER 42 6.738 21.397 5.376
302 HA SER 42 HA SER 42 5.603 23.788 5.910
303 HB2 SER 42 1HB SER 42 8.103 23.165 5.582
304 HB3 SER 42 2HB SER 42 7.855 23.691 3.918
305 HG SER 42 HG SER 42 8.253 25.593 4.725
306 H SER 43 H SER 43 4.394 25.282 4.914
307 HA SER 43 HA SER 43 2.819 24.859 2.771
308 HB2 SER 43 1HB SER 43 2.494 26.816 4.132
309 HB3 SER 43 2HB SER 43 4.049 27.483 3.636
310 HG SER 43 HG SER 43 2.181 28.362 2.524
311 H GLY 44 H GLY 44 5.805 26.802 2.496
312 HA2 GLY 44 1HA GLY 44 7.398 26.795 0.809
313 HA3 GLY 44 2HA GLY 44 6.515 25.494 0.024
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -33.033 -3.820 7.316
2 HA2 GLY 1 1HA GLY 1 -31.480 -3.556 9.598
3 HA3 GLY 1 2HA GLY 1 -31.922 -5.254 9.504
4 H SER 2 H SER 2 -29.290 -4.537 9.404
5 HA SER 2 HA SER 2 -28.596 -4.907 6.564
6 HB2 SER 2 1HB SER 2 -27.801 -2.777 7.745
7 HB3 SER 2 2HB SER 2 -26.721 -3.824 8.665
8 HG SER 2 HG SER 2 -25.470 -3.437 6.995
9 H SER 3 H SER 3 -26.742 -6.262 6.113
10 HA SER 3 HA SER 3 -25.778 -8.019 8.196
11 HB2 SER 3 1HB SER 3 -26.621 -10.065 7.325
12 HB3 SER 3 2HB SER 3 -28.006 -8.975 7.407
13 HG SER 3 HG SER 3 -27.053 -8.547 5.062
14 H GLY 4 H GLY 4 -24.360 -9.812 7.097
15 HA2 GLY 4 1HA GLY 4 -23.260 -9.470 4.561
16 HA3 GLY 4 2HA GLY 4 -22.329 -8.462 5.659
17 H SER 5 H SER 5 -23.706 -11.754 5.709
18 HA SER 5 HA SER 5 -21.712 -12.823 7.379
19 HB2 SER 5 1HB SER 5 -23.850 -13.943 5.636
20 HB3 SER 5 2HB SER 5 -22.564 -15.036 6.145
21 HG SER 5 HG SER 5 -24.462 -14.855 7.569
22 H SER 6 H SER 6 -22.162 -13.220 3.863
23 HA SER 6 HA SER 6 -19.374 -14.094 3.651
24 HB2 SER 6 1HB SER 6 -21.187 -15.480 2.613
25 HB3 SER 6 2HB SER 6 -21.520 -14.139 1.517
26 HG SER 6 HG SER 6 -19.035 -14.416 1.202
27 H GLY 7 H GLY 7 -17.878 -12.662 3.104
28 HA2 GLY 7 1HA GLY 7 -17.488 -11.137 1.013
29 HA3 GLY 7 2HA GLY 7 -18.706 -10.160 1.820
30 H THR 8 H THR 8 -17.930 -10.482 4.471
31 HA THR 8 HA THR 8 -15.617 -8.737 4.522
32 HB THR 8 HB THR 8 -16.083 -8.608 6.979
33 HG1 THR 8 HG1 THR 8 -17.349 -10.796 6.658
34 HG21 THR 8 3HG2 THR 8 -17.689 -7.015 6.685
35 HG22 THR 8 1HG2 THR 8 -18.689 -8.053 5.670
36 HG23 THR 8 2HG2 THR 8 -17.260 -7.271 4.994
37 H ASP 9 H ASP 9 -15.065 -11.401 3.704
38 HA ASP 9 HA ASP 9 -13.685 -12.578 6.006
39 HB2 ASP 9 1HB ASP 9 -13.770 -13.836 3.284
40 HB3 ASP 9 2HB ASP 9 -13.656 -14.609 4.863
41 H SER 10 H SER 10 -13.077 -11.473 2.692
42 HA SER 10 HA SER 10 -10.224 -11.828 2.970
43 HB2 SER 10 1HB SER 10 -11.564 -12.099 0.803
44 HB3 SER 10 2HB SER 10 -11.620 -10.337 0.749
45 HG SER 10 HG SER 10 -9.198 -10.597 1.047
46 H LYS 11 H LYS 11 -8.672 -10.165 2.940
47 HA LYS 11 HA LYS 11 -9.683 -7.570 3.900
48 HB2 LYS 11 1HB LYS 11 -7.709 -7.331 5.214
49 HB3 LYS 11 2HB LYS 11 -8.328 -8.950 5.514
50 HG2 LYS 11 1HG LYS 11 -6.297 -8.619 3.377
51 HG3 LYS 11 2HG LYS 11 -5.768 -8.488 5.056
52 HD2 LYS 11 1HD LYS 11 -7.519 -10.775 4.318
53 HD3 LYS 11 2HD LYS 11 -5.837 -10.814 3.783
54 HE2 LYS 11 1HE LYS 11 -5.704 -11.863 5.833
55 HE3 LYS 11 2HE LYS 11 -5.321 -10.195 6.258
56 HZ1 LYS 11 3HZ LYS 11 -8.132 -10.766 6.352
57 HZ2 LYS 11 1HZ LYS 11 -7.139 -10.035 7.510
58 HZ3 LYS 11 2HZ LYS 11 -7.236 -11.721 7.423
59 H SER 12 H SER 12 -8.545 -5.663 3.256
60 HA SER 12 HA SER 12 -6.808 -5.954 0.910
61 HB2 SER 12 1HB SER 12 -8.046 -4.146 -0.248
62 HB3 SER 12 2HB SER 12 -9.049 -5.571 0.023
63 HG SER 12 HG SER 12 -9.495 -3.075 0.810
64 H TYR 13 H TYR 13 -5.264 -4.373 0.673
65 HA TYR 13 HA TYR 13 -5.113 -2.395 2.852
66 HB2 TYR 13 1HB TYR 13 -2.766 -3.582 1.367
67 HB3 TYR 13 2HB TYR 13 -2.723 -2.590 2.821
68 HD1 TYR 13 HD2 TYR 13 -3.469 -3.539 4.986
69 HD2 TYR 13 HD1 TYR 13 -3.163 -5.934 1.483
70 HE1 TYR 13 HE2 TYR 13 -3.518 -5.568 6.376
71 HE2 TYR 13 HE1 TYR 13 -3.212 -7.970 2.863
72 HH TYR 13 HH TYR 13 -4.125 -7.972 6.101
73 H ASN 14 H ASN 14 -5.790 -0.525 1.989
74 HA ASN 14 HA ASN 14 -4.795 0.242 -0.667
75 HB2 ASN 14 1HB ASN 14 -6.613 2.138 -0.181
76 HB3 ASN 14 2HB ASN 14 -7.052 0.569 -0.848
77 HD21 ASN 14 1HD2 ASN 14 -8.408 -0.703 0.253
78 HD22 ASN 14 2HD2 ASN 14 -9.026 -0.357 1.829
79 H CYS 15 H CYS 15 -4.113 2.464 -0.994
80 HA CYS 15 HA CYS 15 -2.429 3.363 1.176
81 HB2 CYS 15 1HB CYS 15 -1.570 3.333 -1.124
82 HB3 CYS 15 2HB CYS 15 -2.814 4.481 -1.609
83 H ASN 16 H ASN 16 -2.819 5.000 2.528
84 HA ASN 16 HA ASN 16 -5.310 6.493 2.194
85 HB2 ASN 16 1HB ASN 16 -3.462 6.125 4.557
86 HB3 ASN 16 2HB ASN 16 -4.855 7.203 4.575
87 HD21 ASN 16 1HD2 ASN 16 -5.424 5.770 6.396
88 HD22 ASN 16 2HD2 ASN 16 -6.310 4.328 6.047
89 H GLU 17 H GLU 17 -2.967 7.100 0.576
90 HA GLU 17 HA GLU 17 -2.515 9.871 1.471
91 HB2 GLU 17 1HB GLU 17 -0.529 8.287 -0.149
92 HB3 GLU 17 2HB GLU 17 -0.280 9.823 0.669
93 HG2 GLU 17 1HG GLU 17 -1.009 7.432 2.283
94 HG3 GLU 17 2HG GLU 17 0.638 7.592 1.677
95 H CYS 18 H CYS 18 -2.931 7.658 -1.231
96 HA CYS 18 HA CYS 18 -3.575 9.970 -2.943
97 HB2 CYS 18 1HB CYS 18 -2.894 8.560 -4.873
98 HB3 CYS 18 2HB CYS 18 -1.568 8.889 -3.762
99 H GLY 19 H GLY 19 -4.353 6.611 -2.146
100 HA2 GLY 19 1HA GLY 19 -6.767 6.162 -1.837
101 HA3 GLY 19 2HA GLY 19 -7.026 7.058 -3.326
102 H LYS 20 H LYS 20 -4.399 4.785 -2.851
103 HA LYS 20 HA LYS 20 -5.343 3.243 -5.120
104 HB2 LYS 20 1HB LYS 20 -2.815 3.194 -3.480
105 HB3 LYS 20 2HB LYS 20 -3.160 1.976 -4.700
106 HG2 LYS 20 1HG LYS 20 -3.344 4.831 -5.491
107 HG3 LYS 20 2HG LYS 20 -1.742 4.132 -5.243
108 HD2 LYS 20 1HD LYS 20 -2.037 3.650 -7.459
109 HD3 LYS 20 2HD LYS 20 -2.742 2.199 -6.743
110 HE2 LYS 20 1HE LYS 20 -4.878 2.808 -7.280
111 HE3 LYS 20 2HE LYS 20 -4.523 4.532 -7.199
112 HZ1 LYS 20 3HZ LYS 20 -4.611 4.369 -9.421
113 HZ2 LYS 20 1HZ LYS 20 -4.312 2.704 -9.436
114 HZ3 LYS 20 2HZ LYS 20 -3.027 3.792 -9.280
115 H ALA 21 H ALA 21 -5.104 0.794 -4.958
116 HA ALA 21 HA ALA 21 -5.836 -0.258 -2.331
117 HB1 ALA 21 3HB ALA 21 -7.516 -1.371 -4.438
118 HB2 ALA 21 1HB ALA 21 -7.944 -0.811 -2.821
119 HB3 ALA 21 2HB ALA 21 -7.803 0.345 -4.146
120 H PHE 22 H PHE 22 -4.431 -1.840 -1.980
121 HA PHE 22 HA PHE 22 -3.676 -3.577 -4.237
122 HB2 PHE 22 1HB PHE 22 -2.032 -3.088 -1.751
123 HB3 PHE 22 2HB PHE 22 -1.527 -3.903 -3.228
124 HD1 PHE 22 HD2 PHE 22 -1.100 -2.610 -5.273
125 HD2 PHE 22 HD1 PHE 22 -2.019 -0.715 -1.574
126 HE1 PHE 22 HE2 PHE 22 -0.247 -0.479 -6.157
127 HE2 PHE 22 HE1 PHE 22 -1.168 1.420 -2.453
128 HZ PHE 22 HZ PHE 22 -0.279 1.540 -4.747
129 H THR 23 H THR 23 -3.545 -5.803 -3.892
130 HA THR 23 HA THR 23 -5.304 -6.787 -1.813
131 HB THR 23 HB THR 23 -4.978 -9.001 -2.919
132 HG1 THR 23 HG1 THR 23 -3.099 -9.012 -3.964
133 HG21 THR 23 3HG2 THR 23 -6.768 -7.383 -3.587
134 HG22 THR 23 1HG2 THR 23 -6.279 -8.491 -4.868
135 HG23 THR 23 2HG2 THR 23 -5.705 -6.824 -4.878
136 H ARG 24 H ARG 24 -1.899 -6.694 -2.510
137 HA ARG 24 HA ARG 24 -1.310 -8.586 -0.359
138 HB2 ARG 24 1HB ARG 24 0.310 -7.363 -2.570
139 HB3 ARG 24 2HB ARG 24 1.109 -8.076 -1.175
140 HG2 ARG 24 1HG ARG 24 0.533 -10.199 -1.750
141 HG3 ARG 24 2HG ARG 24 -0.956 -9.695 -2.553
142 HD2 ARG 24 1HD ARG 24 0.717 -8.563 -4.233
143 HD3 ARG 24 2HD ARG 24 1.838 -9.763 -3.589
144 HE ARG 24 HE ARG 24 -0.687 -10.857 -4.428
145 HH11 ARG 24 1HH1 ARG 24 2.522 -9.949 -5.426
146 HH12 ARG 24 2HH1 ARG 24 2.545 -11.025 -6.784
147 HH21 ARG 24 1HH2 ARG 24 -0.670 -12.277 -6.212
148 HH22 ARG 24 2HH2 ARG 24 0.728 -12.348 -7.231
149 H ILE 25 H ILE 25 0.660 -7.932 1.020
150 HA ILE 25 HA ILE 25 0.152 -5.221 2.038
151 HB ILE 25 HB ILE 25 -0.239 -7.099 3.614
152 HG12 ILE 25 1HG1 ILE 25 1.304 -6.162 5.442
153 HG13 ILE 25 2HG1 ILE 25 1.929 -5.088 4.195
154 HG21 ILE 25 1HG2 ILE 25 1.544 -8.439 4.441
155 HG22 ILE 25 2HG2 ILE 25 1.601 -8.526 2.681
156 HG23 ILE 25 3HG2 ILE 25 2.743 -7.502 3.550
157 HD11 ILE 25 3HD1 ILE 25 -0.692 -5.092 5.563
158 HD12 ILE 25 1HD1 ILE 25 0.332 -3.745 5.067
159 HD13 ILE 25 2HD1 ILE 25 -0.654 -4.591 3.873
160 H PHE 26 H PHE 26 2.659 -7.417 0.955
161 HA PHE 26 HA PHE 26 4.848 -5.732 1.677
162 HB2 PHE 26 1HB PHE 26 6.232 -7.299 0.551
163 HB3 PHE 26 2HB PHE 26 4.940 -8.242 1.286
164 HD1 PHE 26 HD2 PHE 26 6.072 -6.739 -1.902
165 HD2 PHE 26 HD1 PHE 26 3.557 -9.607 -0.014
166 HE1 PHE 26 HE2 PHE 26 5.544 -7.716 -4.098
167 HE2 PHE 26 HE1 PHE 26 3.026 -10.590 -2.207
168 HZ PHE 26 HZ PHE 26 4.019 -9.643 -4.252
169 H HIS 27 H HIS 27 2.605 -5.766 -0.900
170 HA HIS 27 HA HIS 27 4.290 -4.390 -2.794
171 HB2 HIS 27 1HB HIS 27 1.493 -5.390 -2.742
172 HB3 HIS 27 2HB HIS 27 1.839 -4.045 -3.826
173 HD2 HIS 27 HD2 HIS 27 4.939 -5.424 -4.519
174 HE1 HIS 27 HE1 HIS 27 2.447 -8.288 -6.412
175 HE2 HIS 27 HE2 HIS 27 4.798 -7.419 -6.159
176 H LEU 28 H LEU 28 1.531 -3.542 -0.724
177 HA LEU 28 HA LEU 28 1.323 -0.854 -1.476
178 HB2 LEU 28 1HB LEU 28 -0.471 -1.724 -0.267
179 HB3 LEU 28 2HB LEU 28 0.575 -2.375 0.993
180 HG LEU 28 HG LEU 28 1.000 -0.083 1.792
181 HD11 LEU 28 1HD1 LEU 28 -1.249 1.023 0.242
182 HD12 LEU 28 2HD1 LEU 28 0.249 0.756 -0.650
183 HD13 LEU 28 3HD1 LEU 28 0.248 1.785 0.782
184 HD21 LEU 28 3HD2 LEU 28 -1.500 0.350 2.430
185 HD22 LEU 28 1HD2 LEU 28 -0.656 -1.073 3.041
186 HD23 LEU 28 2HD2 LEU 28 -1.755 -1.222 1.669
187 H THR 29 H THR 29 3.313 -2.433 0.971
188 HA THR 29 HA THR 29 4.278 -0.184 2.300
189 HB THR 29 HB THR 29 5.603 -2.844 1.765
190 HG1 THR 29 HG1 THR 29 5.104 -2.796 4.208
191 HG21 THR 29 3HG2 THR 29 7.253 -2.290 3.427
192 HG22 THR 29 1HG2 THR 29 6.491 -0.729 3.728
193 HG23 THR 29 2HG2 THR 29 7.278 -1.043 2.181
194 H ARG 30 H ARG 30 5.522 -1.806 -0.601
195 HA ARG 30 HA ARG 30 7.796 -0.166 -0.923
196 HB2 ARG 30 1HB ARG 30 6.237 -1.711 -3.003
197 HB3 ARG 30 2HB ARG 30 7.847 -1.041 -3.229
198 HG2 ARG 30 1HG ARG 30 8.363 -2.501 -1.087
199 HG3 ARG 30 2HG ARG 30 6.976 -3.415 -1.681
200 HD2 ARG 30 1HD ARG 30 8.836 -4.437 -2.677
201 HD3 ARG 30 2HD ARG 30 8.156 -3.412 -3.940
202 HE ARG 30 HE ARG 30 10.215 -2.119 -2.418
203 HH11 ARG 30 1HH1 ARG 30 9.562 -4.248 -5.095
204 HH12 ARG 30 2HH1 ARG 30 11.048 -3.889 -5.911
205 HH21 ARG 30 1HH2 ARG 30 12.174 -1.640 -3.483
206 HH22 ARG 30 2HH2 ARG 30 12.533 -2.407 -4.993
207 H HIS 31 H HIS 31 4.450 0.248 -1.755
208 HA HIS 31 HA HIS 31 4.826 2.329 -3.669
209 HB2 HIS 31 1HB HIS 31 2.766 1.200 -3.824
210 HB3 HIS 31 2HB HIS 31 2.459 1.338 -2.095
211 HD1 HIS 31 HD1 HIS 31 2.600 3.529 -5.187
212 HD2 HIS 31 HD2 HIS 31 0.923 3.473 -1.387
213 HE1 HIS 31 HE1 HIS 31 1.062 5.517 -5.102
214 H GLN 32 H GLN 32 3.609 2.401 -0.313
215 HA GLN 32 HA GLN 32 3.296 5.021 0.159
216 HB2 GLN 32 1HB GLN 32 4.537 2.902 1.885
217 HB3 GLN 32 2HB GLN 32 4.378 4.551 2.475
218 HG2 GLN 32 1HG GLN 32 1.915 4.358 1.884
219 HG3 GLN 32 2HG GLN 32 2.208 2.628 1.710
220 HE21 GLN 32 1HE2 GLN 32 0.475 2.830 3.461
221 HE22 GLN 32 2HE2 GLN 32 1.049 2.854 5.090
222 H LYS 33 H LYS 33 6.385 3.394 -0.218
223 HA LYS 33 HA LYS 33 8.089 5.424 0.656
224 HB2 LYS 33 1HB LYS 33 8.512 3.367 -1.519
225 HB3 LYS 33 2HB LYS 33 9.787 4.358 -0.823
226 HG2 LYS 33 1HG LYS 33 9.729 3.247 1.201
227 HG3 LYS 33 2HG LYS 33 8.086 2.655 0.945
228 HD2 LYS 33 1HD LYS 33 9.303 0.740 0.573
229 HD3 LYS 33 2HD LYS 33 9.188 1.384 -1.067
230 HE2 LYS 33 1HE LYS 33 11.500 2.070 0.716
231 HE3 LYS 33 2HE LYS 33 11.481 0.573 -0.215
232 HZ1 LYS 33 3HZ LYS 33 11.956 1.665 -2.077
233 HZ2 LYS 33 1HZ LYS 33 12.329 3.000 -1.107
234 HZ3 LYS 33 2HZ LYS 33 10.790 2.857 -1.794
235 H ILE 34 H ILE 34 6.753 4.808 -2.575
236 HA ILE 34 HA ILE 34 8.057 6.794 -3.994
237 HB ILE 34 HB ILE 34 6.423 6.594 -5.655
238 HG12 ILE 34 1HG1 ILE 34 4.159 5.398 -4.855
239 HG13 ILE 34 2HG1 ILE 34 4.581 6.212 -3.353
240 HG21 ILE 34 1HG2 ILE 34 5.654 3.982 -4.797
241 HG22 ILE 34 2HG2 ILE 34 6.855 4.447 -6.001
242 HG23 ILE 34 3HG2 ILE 34 7.320 4.286 -4.307
243 HD11 ILE 34 3HD1 ILE 34 3.064 7.361 -5.154
244 HD12 ILE 34 1HD1 ILE 34 4.242 8.289 -4.226
245 HD13 ILE 34 2HD1 ILE 34 4.618 7.782 -5.873
246 H HIS 35 H HIS 35 5.550 7.075 -1.630
247 HA HIS 35 HA HIS 35 4.831 9.777 -2.386
248 HB2 HIS 35 1HB HIS 35 3.976 7.903 -0.197
249 HB3 HIS 35 2HB HIS 35 3.542 9.609 -0.140
250 HD1 HIS 35 HD1 HIS 35 2.889 10.015 -3.145
251 HD2 HIS 35 HD2 HIS 35 1.551 6.826 -0.842
252 HE1 HIS 35 HE1 HIS 35 0.819 9.174 -4.300
253 H THR 36 H THR 36 6.697 10.990 -2.167
254 HA THR 36 HA THR 36 7.623 11.367 0.604
255 HB THR 36 HB THR 36 9.862 12.001 -0.401
256 HG1 THR 36 HG1 THR 36 9.010 12.143 -2.595
257 HG21 THR 36 3HG2 THR 36 10.327 9.454 -0.985
258 HG22 THR 36 1HG2 THR 36 8.722 9.257 -0.285
259 HG23 THR 36 2HG2 THR 36 10.016 9.984 0.667
260 H ARG 37 H ARG 37 5.564 12.798 -0.891
261 HA ARG 37 HA ARG 37 6.783 15.385 -1.460
262 HB2 ARG 37 1HB ARG 37 4.070 14.190 -1.897
263 HB3 ARG 37 2HB ARG 37 4.265 15.938 -1.913
264 HG2 ARG 37 1HG ARG 37 5.939 14.134 -3.628
265 HG3 ARG 37 2HG ARG 37 4.362 14.734 -4.145
266 HD2 ARG 37 1HD ARG 37 6.524 16.580 -3.178
267 HD3 ARG 37 2HD ARG 37 6.435 16.055 -4.859
268 HE ARG 37 HE ARG 37 3.929 17.006 -4.247
269 HH11 ARG 37 1HH1 ARG 37 7.171 18.274 -4.255
270 HH12 ARG 37 2HH1 ARG 37 6.676 19.897 -4.601
271 HH21 ARG 37 1HH2 ARG 37 3.263 19.140 -4.703
272 HH22 ARG 37 2HH2 ARG 37 4.452 20.389 -4.855
273 H LYS 38 H LYS 38 7.414 16.091 0.578
274 HA LYS 38 HA LYS 38 5.889 16.039 2.908
275 HB2 LYS 38 1HB LYS 38 7.335 17.958 3.637
276 HB3 LYS 38 2HB LYS 38 8.218 16.556 3.046
277 HG2 LYS 38 1HG LYS 38 9.302 18.416 2.123
278 HG3 LYS 38 2HG LYS 38 8.329 17.746 0.811
279 HD2 LYS 38 1HD LYS 38 6.726 19.458 0.985
280 HD3 LYS 38 2HD LYS 38 7.318 19.964 2.569
281 HE2 LYS 38 1HE LYS 38 8.255 21.593 1.274
282 HE3 LYS 38 2HE LYS 38 9.541 20.390 1.205
283 HZ1 LYS 38 3HZ LYS 38 7.660 19.893 -0.838
284 HZ2 LYS 38 1HZ LYS 38 9.304 20.268 -0.979
285 HZ3 LYS 38 2HZ LYS 38 8.156 21.508 -0.921
286 H SER 39 H SER 39 5.322 18.290 4.017
287 HA SER 39 HA SER 39 3.391 19.580 2.212
288 HB2 SER 39 1HB SER 39 2.205 18.608 4.008
289 HB3 SER 39 2HB SER 39 3.401 19.134 5.193
290 HG SER 39 HG SER 39 1.226 20.446 4.234
291 H GLY 40 H GLY 40 4.413 21.309 1.351
292 HA2 GLY 40 1HA GLY 40 6.244 22.931 2.852
293 HA3 GLY 40 2HA GLY 40 5.649 23.257 1.231
294 HA PRO 41 HA PRO 41 3.300 26.569 2.906
295 HB2 PRO 41 1HB PRO 41 1.440 26.824 0.945
296 HB3 PRO 41 2HB PRO 41 3.120 27.338 0.748
297 HG2 PRO 41 1HG PRO 41 1.788 24.821 -0.176
298 HG3 PRO 41 2HG PRO 41 2.935 25.862 -1.039
299 HD2 PRO 41 1HD PRO 41 3.681 23.551 0.159
300 HD3 PRO 41 2HD PRO 41 4.761 24.955 0.037
301 H SER 42 H SER 42 2.181 26.032 4.706
302 HA SER 42 HA SER 42 -0.530 25.025 4.351
303 HB2 SER 42 1HB SER 42 0.624 22.970 4.793
304 HB3 SER 42 2HB SER 42 1.532 23.697 6.119
305 HG SER 42 HG SER 42 -0.046 23.124 7.363
306 H SER 43 H SER 43 -1.732 26.550 5.257
307 HA SER 43 HA SER 43 -1.217 27.346 8.000
308 HB2 SER 43 1HB SER 43 -1.304 29.754 7.507
309 HB3 SER 43 2HB SER 43 0.074 28.995 6.709
310 HG SER 43 HG SER 43 -2.313 29.142 5.280
311 H GLY 44 H GLY 44 -3.125 26.738 8.826
312 HA2 GLY 44 1HA GLY 44 -5.476 28.215 8.226
313 HA3 GLY 44 2HA GLY 44 -5.571 26.606 7.527
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -16.029 5.573 10.683
2 HA2 GLY 1 1HA GLY 1 -17.100 3.587 12.584
3 HA3 GLY 1 2HA GLY 1 -18.170 4.451 11.490
4 H SER 2 H SER 2 -17.940 1.641 11.604
5 HA SER 2 HA SER 2 -16.861 1.113 8.917
6 HB2 SER 2 1HB SER 2 -16.430 -0.411 11.456
7 HB3 SER 2 2HB SER 2 -16.499 -1.296 9.932
8 HG SER 2 HG SER 2 -14.380 -0.355 10.787
9 H SER 3 H SER 3 -18.958 -0.244 11.460
10 HA SER 3 HA SER 3 -20.845 -1.536 11.313
11 HB2 SER 3 1HB SER 3 -22.659 -0.467 10.069
12 HB3 SER 3 2HB SER 3 -21.705 0.748 10.918
13 HG SER 3 HG SER 3 -22.110 1.393 8.782
14 H GLY 4 H GLY 4 -18.776 -2.687 9.862
15 HA2 GLY 4 1HA GLY 4 -18.796 -4.647 8.554
16 HA3 GLY 4 2HA GLY 4 -20.323 -4.135 7.850
17 H SER 5 H SER 5 -16.845 -3.510 7.859
18 HA SER 5 HA SER 5 -17.121 -2.324 5.177
19 HB2 SER 5 1HB SER 5 -16.024 -1.057 7.215
20 HB3 SER 5 2HB SER 5 -14.618 -2.035 6.793
21 HG SER 5 HG SER 5 -14.995 -1.197 4.583
22 H SER 6 H SER 6 -14.917 -4.337 7.122
23 HA SER 6 HA SER 6 -14.297 -5.853 4.676
24 HB2 SER 6 1HB SER 6 -11.978 -6.071 5.389
25 HB3 SER 6 2HB SER 6 -12.406 -4.363 5.286
26 HG SER 6 HG SER 6 -12.231 -5.953 7.629
27 H GLY 7 H GLY 7 -14.965 -7.879 4.877
28 HA2 GLY 7 1HA GLY 7 -16.059 -9.122 7.021
29 HA3 GLY 7 2HA GLY 7 -15.188 -9.998 5.771
30 H THR 8 H THR 8 -15.366 -10.701 8.544
31 HA THR 8 HA THR 8 -13.343 -10.012 10.220
32 HB THR 8 HB THR 8 -13.307 -12.407 10.997
33 HG1 THR 8 HG1 THR 8 -13.981 -13.834 9.598
34 HG21 THR 8 3HG2 THR 8 -14.936 -11.534 12.256
35 HG22 THR 8 1HG2 THR 8 -16.072 -12.245 11.110
36 HG23 THR 8 2HG2 THR 8 -15.556 -10.569 10.916
37 H ASP 9 H ASP 9 -13.104 -12.300 7.517
38 HA ASP 9 HA ASP 9 -10.199 -12.412 7.890
39 HB2 ASP 9 1HB ASP 9 -11.248 -14.576 7.690
40 HB3 ASP 9 2HB ASP 9 -12.072 -14.089 6.211
41 H SER 10 H SER 10 -12.596 -11.892 5.310
42 HA SER 10 HA SER 10 -10.827 -11.183 3.281
43 HB2 SER 10 1HB SER 10 -13.693 -10.407 3.809
44 HB3 SER 10 2HB SER 10 -12.830 -9.874 2.366
45 HG SER 10 HG SER 10 -14.089 -12.117 2.653
46 H LYS 11 H LYS 11 -9.329 -9.651 3.354
47 HA LYS 11 HA LYS 11 -10.093 -6.990 4.335
48 HB2 LYS 11 1HB LYS 11 -8.030 -6.715 5.515
49 HB3 LYS 11 2HB LYS 11 -8.751 -8.225 6.057
50 HG2 LYS 11 1HG LYS 11 -7.204 -9.521 4.854
51 HG3 LYS 11 2HG LYS 11 -6.668 -8.138 3.898
52 HD2 LYS 11 1HD LYS 11 -4.953 -8.425 5.450
53 HD3 LYS 11 2HD LYS 11 -5.932 -7.136 6.154
54 HE2 LYS 11 1HE LYS 11 -6.806 -8.519 7.791
55 HE3 LYS 11 2HE LYS 11 -6.479 -9.986 6.870
56 HZ1 LYS 11 3HZ LYS 11 -4.310 -8.289 7.955
57 HZ2 LYS 11 1HZ LYS 11 -4.210 -9.882 7.394
58 HZ3 LYS 11 2HZ LYS 11 -5.004 -9.546 8.849
59 H SER 12 H SER 12 -8.337 -5.342 3.681
60 HA SER 12 HA SER 12 -6.764 -5.912 1.370
61 HB2 SER 12 1HB SER 12 -7.989 -4.658 -0.282
62 HB3 SER 12 2HB SER 12 -9.082 -5.860 0.403
63 HG SER 12 HG SER 12 -9.325 -3.188 0.368
64 H TYR 13 H TYR 13 -5.151 -4.479 1.251
65 HA TYR 13 HA TYR 13 -5.261 -2.149 3.007
66 HB2 TYR 13 1HB TYR 13 -2.875 -3.167 1.463
67 HB3 TYR 13 2HB TYR 13 -2.876 -2.083 2.850
68 HD1 TYR 13 HD2 TYR 13 -3.695 -3.028 5.087
69 HD2 TYR 13 HD1 TYR 13 -2.669 -5.478 1.763
70 HE1 TYR 13 HE2 TYR 13 -3.425 -4.951 6.596
71 HE2 TYR 13 HE1 TYR 13 -2.398 -7.409 3.263
72 HH TYR 13 HH TYR 13 -3.206 -7.204 6.686
73 H ASN 14 H ASN 14 -5.598 -0.167 2.264
74 HA ASN 14 HA ASN 14 -5.037 0.391 -0.573
75 HB2 ASN 14 1HB ASN 14 -7.354 1.489 1.035
76 HB3 ASN 14 2HB ASN 14 -7.011 1.821 -0.660
77 HD21 ASN 14 1HD2 ASN 14 -9.433 0.794 0.275
78 HD22 ASN 14 2HD2 ASN 14 -9.627 -0.805 -0.351
79 H CYS 15 H CYS 15 -3.768 2.094 -0.947
80 HA CYS 15 HA CYS 15 -2.644 3.559 1.228
81 HB2 CYS 15 1HB CYS 15 -1.411 2.948 -0.864
82 HB3 CYS 15 2HB CYS 15 -2.387 4.130 -1.730
83 H ASN 16 H ASN 16 -3.445 5.304 2.174
84 HA ASN 16 HA ASN 16 -5.748 6.648 1.122
85 HB2 ASN 16 1HB ASN 16 -4.058 6.964 3.585
86 HB3 ASN 16 2HB ASN 16 -5.253 8.187 3.164
87 HD21 ASN 16 1HD2 ASN 16 -6.779 7.889 4.655
88 HD22 ASN 16 2HD2 ASN 16 -7.620 6.405 4.930
89 H GLU 17 H GLU 17 -2.344 7.509 1.624
90 HA GLU 17 HA GLU 17 -2.177 10.116 1.073
91 HB2 GLU 17 1HB GLU 17 -0.502 7.834 0.099
92 HB3 GLU 17 2HB GLU 17 -0.143 9.464 -0.453
93 HG2 GLU 17 1HG GLU 17 1.245 9.180 1.381
94 HG3 GLU 17 2HG GLU 17 -0.116 10.098 2.024
95 H CYS 18 H CYS 18 -2.436 7.658 -1.495
96 HA CYS 18 HA CYS 18 -3.282 9.784 -3.343
97 HB2 CYS 18 1HB CYS 18 -2.734 8.118 -5.135
98 HB3 CYS 18 2HB CYS 18 -1.352 8.618 -4.167
99 H GLY 19 H GLY 19 -4.114 6.582 -2.112
100 HA2 GLY 19 1HA GLY 19 -6.435 6.057 -1.693
101 HA3 GLY 19 2HA GLY 19 -6.857 7.023 -3.099
102 H LYS 20 H LYS 20 -4.266 4.642 -2.937
103 HA LYS 20 HA LYS 20 -5.486 3.225 -5.172
104 HB2 LYS 20 1HB LYS 20 -2.971 3.930 -4.901
105 HB3 LYS 20 2HB LYS 20 -2.862 2.453 -3.952
106 HG2 LYS 20 1HG LYS 20 -3.245 1.096 -5.766
107 HG3 LYS 20 2HG LYS 20 -4.090 2.357 -6.667
108 HD2 LYS 20 1HD LYS 20 -1.948 3.548 -6.950
109 HD3 LYS 20 2HD LYS 20 -1.125 2.233 -6.109
110 HE2 LYS 20 1HE LYS 20 -2.767 1.835 -8.602
111 HE3 LYS 20 2HE LYS 20 -1.033 2.153 -8.627
112 HZ1 LYS 20 3HZ LYS 20 -0.550 0.104 -7.823
113 HZ2 LYS 20 1HZ LYS 20 -2.005 -0.283 -8.593
114 HZ3 LYS 20 2HZ LYS 20 -1.977 -0.023 -6.923
115 H ALA 21 H ALA 21 -5.273 0.780 -5.141
116 HA ALA 21 HA ALA 21 -5.808 -0.308 -2.461
117 HB1 ALA 21 3HB ALA 21 -7.872 0.168 -3.994
118 HB2 ALA 21 1HB ALA 21 -7.370 -1.324 -4.790
119 HB3 ALA 21 2HB ALA 21 -7.773 -1.332 -3.072
120 H PHE 22 H PHE 22 -4.333 -1.808 -2.051
121 HA PHE 22 HA PHE 22 -3.312 -3.434 -4.282
122 HB2 PHE 22 1HB PHE 22 -1.999 -2.872 -1.615
123 HB3 PHE 22 2HB PHE 22 -1.296 -3.782 -2.947
124 HD1 PHE 22 HD1 PHE 22 -2.241 -0.452 -1.747
125 HD2 PHE 22 HD2 PHE 22 -0.392 -2.673 -4.873
126 HE1 PHE 22 HE1 PHE 22 -1.295 1.627 -2.661
127 HE2 PHE 22 HE2 PHE 22 0.557 -0.598 -5.791
128 HZ PHE 22 HZ PHE 22 0.108 1.556 -4.684
129 H THR 23 H THR 23 -3.105 -5.667 -4.035
130 HA THR 23 HA THR 23 -4.913 -6.813 -2.043
131 HB THR 23 HB THR 23 -5.462 -7.604 -4.187
132 HG1 THR 23 HG1 THR 23 -4.743 -9.867 -4.076
133 HG21 THR 23 3HG2 THR 23 -3.440 -8.853 -5.436
134 HG22 THR 23 1HG2 THR 23 -2.531 -7.594 -4.600
135 HG23 THR 23 2HG2 THR 23 -3.834 -7.155 -5.706
136 H ARG 24 H ARG 24 -1.557 -6.655 -2.876
137 HA ARG 24 HA ARG 24 -0.860 -8.871 -1.116
138 HB2 ARG 24 1HB ARG 24 0.567 -7.247 -3.158
139 HB3 ARG 24 2HB ARG 24 1.529 -7.919 -1.849
140 HG2 ARG 24 1HG ARG 24 1.481 -9.351 -3.849
141 HG3 ARG 24 2HG ARG 24 0.832 -10.151 -2.416
142 HD2 ARG 24 1HD ARG 24 -1.398 -9.885 -3.166
143 HD3 ARG 24 2HD ARG 24 -0.912 -8.756 -4.430
144 HE ARG 24 HE ARG 24 0.412 -11.017 -5.088
145 HH11 ARG 24 1HH1 ARG 24 -2.921 -10.334 -4.351
146 HH12 ARG 24 2HH1 ARG 24 -3.540 -11.588 -5.373
147 HH21 ARG 24 1HH2 ARG 24 -0.390 -12.673 -6.437
148 HH22 ARG 24 2HH2 ARG 24 -2.100 -12.919 -6.558
149 H ILE 25 H ILE 25 1.201 -8.367 0.276
150 HA ILE 25 HA ILE 25 0.514 -6.036 1.924
151 HB ILE 25 HB ILE 25 0.474 -8.237 3.046
152 HG12 ILE 25 1HG1 ILE 25 1.989 -7.596 4.950
153 HG13 ILE 25 2HG1 ILE 25 2.609 -6.292 3.943
154 HG21 ILE 25 1HG2 ILE 25 2.174 -9.717 3.024
155 HG22 ILE 25 2HG2 ILE 25 2.630 -8.861 1.553
156 HG23 ILE 25 3HG2 ILE 25 3.410 -8.461 3.083
157 HD11 ILE 25 3HD1 ILE 25 0.601 -6.008 5.695
158 HD12 ILE 25 1HD1 ILE 25 0.784 -5.020 4.246
159 HD13 ILE 25 2HD1 ILE 25 -0.315 -6.400 4.240
160 H PHE 26 H PHE 26 3.144 -7.583 0.198
161 HA PHE 26 HA PHE 26 5.096 -5.651 1.111
162 HB2 PHE 26 1HB PHE 26 6.453 -6.895 -0.785
163 HB3 PHE 26 2HB PHE 26 6.158 -7.666 0.770
164 HD1 PHE 26 HD2 PHE 26 5.263 -7.610 -2.779
165 HD2 PHE 26 HD1 PHE 26 4.665 -9.539 0.968
166 HE1 PHE 26 HE2 PHE 26 4.188 -9.501 -3.928
167 HE2 PHE 26 HE1 PHE 26 3.590 -11.434 -0.176
168 HZ PHE 26 HZ PHE 26 3.349 -11.416 -2.627
169 H HIS 27 H HIS 27 3.038 -6.179 -1.650
170 HA HIS 27 HA HIS 27 4.337 -4.460 -3.474
171 HB2 HIS 27 1HB HIS 27 2.369 -6.202 -3.780
172 HB3 HIS 27 2HB HIS 27 1.366 -4.775 -3.535
173 HD2 HIS 27 HD2 HIS 27 3.268 -2.712 -5.345
174 HE1 HIS 27 HE1 HIS 27 2.354 -5.443 -8.461
175 HE2 HIS 27 HE2 HIS 27 3.267 -3.165 -7.892
176 H LEU 28 H LEU 28 2.138 -3.888 -0.835
177 HA LEU 28 HA LEU 28 1.531 -1.181 -1.615
178 HB2 LEU 28 1HB LEU 28 -0.176 -2.211 -0.406
179 HB3 LEU 28 2HB LEU 28 0.943 -2.875 0.784
180 HG LEU 28 HG LEU 28 1.256 -0.649 1.740
181 HD11 LEU 28 1HD1 LEU 28 -0.781 0.236 -0.299
182 HD12 LEU 28 2HD1 LEU 28 0.927 0.672 -0.282
183 HD13 LEU 28 3HD1 LEU 28 -0.135 1.221 1.014
184 HD21 LEU 28 3HD2 LEU 28 -1.675 -1.292 1.457
185 HD22 LEU 28 1HD2 LEU 28 -0.890 -0.438 2.786
186 HD23 LEU 28 2HD2 LEU 28 -0.565 -2.151 2.525
187 H THR 29 H THR 29 3.558 -2.752 0.834
188 HA THR 29 HA THR 29 4.493 -0.448 2.110
189 HB THR 29 HB THR 29 5.925 -3.083 1.712
190 HG1 THR 29 HG1 THR 29 3.753 -2.726 2.958
191 HG21 THR 29 3HG2 THR 29 6.866 -0.639 2.805
192 HG22 THR 29 1HG2 THR 29 7.666 -2.210 2.792
193 HG23 THR 29 2HG2 THR 29 6.619 -1.764 4.140
194 H ARG 30 H ARG 30 5.503 -2.003 -0.863
195 HA ARG 30 HA ARG 30 7.890 -0.414 -1.135
196 HB2 ARG 30 1HB ARG 30 8.218 -1.542 -3.212
197 HB3 ARG 30 2HB ARG 30 7.618 -2.734 -2.067
198 HG2 ARG 30 1HG ARG 30 5.417 -2.627 -3.031
199 HG3 ARG 30 2HG ARG 30 5.912 -1.312 -4.098
200 HD2 ARG 30 1HD ARG 30 5.966 -3.259 -5.424
201 HD3 ARG 30 2HD ARG 30 7.648 -2.908 -5.026
202 HE ARG 30 HE ARG 30 6.080 -5.175 -4.146
203 HH11 ARG 30 1HH1 ARG 30 8.935 -3.242 -3.666
204 HH12 ARG 30 2HH1 ARG 30 9.796 -4.488 -2.824
205 HH21 ARG 30 1HH2 ARG 30 7.203 -6.824 -3.039
206 HH22 ARG 30 2HH2 ARG 30 8.810 -6.525 -2.469
207 H HIS 31 H HIS 31 4.770 0.421 -1.296
208 HA HIS 31 HA HIS 31 5.166 2.301 -3.529
209 HB2 HIS 31 1HB HIS 31 3.273 1.092 -4.123
210 HB3 HIS 31 2HB HIS 31 2.728 0.929 -2.456
211 HD1 HIS 31 HD1 HIS 31 2.688 3.299 -5.355
212 HD2 HIS 31 HD2 HIS 31 1.148 3.022 -1.506
213 HE1 HIS 31 HE1 HIS 31 0.983 5.139 -5.179
214 H GLN 32 H GLN 32 3.444 2.075 -0.411
215 HA GLN 32 HA GLN 32 2.868 4.691 0.048
216 HB2 GLN 32 1HB GLN 32 3.860 2.638 2.027
217 HB3 GLN 32 2HB GLN 32 3.174 4.190 2.492
218 HG2 GLN 32 1HG GLN 32 1.167 3.406 1.013
219 HG3 GLN 32 2HG GLN 32 1.844 1.805 1.307
220 HE21 GLN 32 1HE2 GLN 32 1.764 0.933 3.352
221 HE22 GLN 32 2HE2 GLN 32 0.814 1.613 4.625
222 H LYS 33 H LYS 33 5.991 3.284 -0.133
223 HA LYS 33 HA LYS 33 7.336 5.401 1.299
224 HB2 LYS 33 1HB LYS 33 9.352 4.237 0.835
225 HB3 LYS 33 2HB LYS 33 8.143 3.006 1.175
226 HG2 LYS 33 1HG LYS 33 8.128 2.227 -0.962
227 HG3 LYS 33 2HG LYS 33 8.548 3.795 -1.655
228 HD2 LYS 33 1HD LYS 33 10.530 2.710 -1.970
229 HD3 LYS 33 2HD LYS 33 10.812 3.348 -0.348
230 HE2 LYS 33 1HE LYS 33 10.549 1.294 0.650
231 HE3 LYS 33 2HE LYS 33 9.521 0.678 -0.643
232 HZ1 LYS 33 3HZ LYS 33 12.261 0.300 -0.307
233 HZ2 LYS 33 1HZ LYS 33 12.062 1.250 -1.692
234 HZ3 LYS 33 2HZ LYS 33 11.284 -0.248 -1.575
235 H ILE 34 H ILE 34 5.666 5.881 -1.192
236 HA ILE 34 HA ILE 34 7.738 7.221 -2.804
237 HB ILE 34 HB ILE 34 6.389 7.042 -4.719
238 HG12 ILE 34 1HG1 ILE 34 4.120 6.084 -2.961
239 HG13 ILE 34 2HG1 ILE 34 4.267 7.712 -3.614
240 HG21 ILE 34 1HG2 ILE 34 7.018 4.920 -4.893
241 HG22 ILE 34 2HG2 ILE 34 6.920 4.701 -3.147
242 HG23 ILE 34 3HG2 ILE 34 5.490 4.451 -4.148
243 HD11 ILE 34 3HD1 ILE 34 2.799 6.686 -5.069
244 HD12 ILE 34 1HD1 ILE 34 4.344 6.539 -5.905
245 HD13 ILE 34 2HD1 ILE 34 3.675 5.156 -5.038
246 H HIS 35 H HIS 35 5.232 7.726 -0.628
247 HA HIS 35 HA HIS 35 4.595 10.392 -1.654
248 HB2 HIS 35 1HB HIS 35 3.388 8.763 0.588
249 HB3 HIS 35 2HB HIS 35 2.888 10.402 0.183
250 HD1 HIS 35 HD1 HIS 35 2.244 10.546 -2.583
251 HD2 HIS 35 HD2 HIS 35 1.768 6.948 -0.562
252 HE1 HIS 35 HE1 HIS 35 0.626 9.208 -3.966
253 H THR 36 H THR 36 6.852 11.039 -1.153
254 HA THR 36 HA THR 36 7.237 11.626 1.706
255 HB THR 36 HB THR 36 9.617 11.954 1.182
256 HG1 THR 36 HG1 THR 36 8.661 11.590 -1.424
257 HG21 THR 36 3HG2 THR 36 10.096 9.550 0.455
258 HG22 THR 36 1HG2 THR 36 8.346 9.348 0.383
259 HG23 THR 36 2HG2 THR 36 9.123 9.771 1.909
260 H ARG 37 H ARG 37 7.638 13.699 2.396
261 HA ARG 37 HA ARG 37 7.687 15.839 0.397
262 HB2 ARG 37 1HB ARG 37 5.328 15.300 1.419
263 HB3 ARG 37 2HB ARG 37 5.952 16.173 2.812
264 HG2 ARG 37 1HG ARG 37 6.282 18.151 1.502
265 HG3 ARG 37 2HG ARG 37 5.868 17.289 0.019
266 HD2 ARG 37 1HD ARG 37 4.004 17.722 2.350
267 HD3 ARG 37 2HD ARG 37 4.020 18.691 0.877
268 HE ARG 37 HE ARG 37 3.708 15.895 0.357
269 HH11 ARG 37 1HH1 ARG 37 2.031 18.808 1.262
270 HH12 ARG 37 2HH1 ARG 37 0.499 18.270 0.656
271 HH21 ARG 37 1HH2 ARG 37 1.697 15.175 -0.444
272 HH22 ARG 37 2HH2 ARG 37 0.311 16.203 -0.313
273 H LYS 38 H LYS 38 8.255 17.965 1.384
274 HA LYS 38 HA LYS 38 10.295 17.552 3.446
275 HB2 LYS 38 1HB LYS 38 9.861 19.743 1.418
276 HB3 LYS 38 2HB LYS 38 11.053 19.861 2.706
277 HG2 LYS 38 1HG LYS 38 12.371 19.065 1.036
278 HG3 LYS 38 2HG LYS 38 11.826 17.535 1.729
279 HD2 LYS 38 1HD LYS 38 10.005 17.485 0.037
280 HD3 LYS 38 2HD LYS 38 10.698 18.934 -0.695
281 HE2 LYS 38 1HE LYS 38 12.424 16.538 -0.256
282 HE3 LYS 38 2HE LYS 38 11.298 16.554 -1.613
283 HZ1 LYS 38 3HZ LYS 38 12.451 18.941 -1.881
284 HZ2 LYS 38 1HZ LYS 38 13.012 17.541 -2.647
285 HZ3 LYS 38 2HZ LYS 38 13.738 18.069 -1.214
286 H SER 39 H SER 39 7.669 19.799 2.608
287 HA SER 39 HA SER 39 7.667 21.570 4.628
288 HB2 SER 39 1HB SER 39 5.197 20.084 3.698
289 HB3 SER 39 2HB SER 39 5.221 21.658 4.494
290 HG SER 39 HG SER 39 6.780 22.066 2.552
291 H GLY 40 H GLY 40 6.194 18.331 4.885
292 HA2 GLY 40 1HA GLY 40 7.097 17.884 7.514
293 HA3 GLY 40 2HA GLY 40 5.457 18.513 7.583
294 HA PRO 41 HA PRO 41 5.437 14.182 5.353
295 HB2 PRO 41 1HB PRO 41 7.508 12.576 6.063
296 HB3 PRO 41 2HB PRO 41 7.553 13.633 4.647
297 HG2 PRO 41 1HG PRO 41 8.716 14.065 7.371
298 HG3 PRO 41 2HG PRO 41 9.433 14.397 5.784
299 HD2 PRO 41 1HD PRO 41 8.321 16.334 7.314
300 HD3 PRO 41 2HD PRO 41 8.284 16.380 5.540
301 H SER 42 H SER 42 6.857 14.523 8.577
302 HA SER 42 HA SER 42 5.711 12.171 9.668
303 HB2 SER 42 1HB SER 42 7.635 13.233 10.722
304 HB3 SER 42 2HB SER 42 6.691 14.689 11.036
305 HG SER 42 HG SER 42 6.576 12.182 12.277
306 H SER 43 H SER 43 4.785 15.600 9.936
307 HA SER 43 HA SER 43 2.877 16.547 10.822
308 HB2 SER 43 1HB SER 43 0.953 16.115 9.429
309 HB3 SER 43 2HB SER 43 2.393 16.046 8.413
310 HG SER 43 HG SER 43 0.666 14.008 9.206
311 H GLY 44 H GLY 44 3.771 14.628 12.598
312 HA2 GLY 44 1HA GLY 44 1.291 13.942 13.911
313 HA3 GLY 44 2HA GLY 44 2.222 12.548 13.382
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -25.153 -18.602 17.587
2 HA2 GLY 1 1HA GLY 1 -27.422 -18.678 15.710
3 HA3 GLY 1 2HA GLY 1 -27.152 -17.438 16.925
4 H SER 2 H SER 2 -27.693 -16.331 14.691
5 HA SER 2 HA SER 2 -25.265 -15.937 13.113
6 HB2 SER 2 1HB SER 2 -28.067 -14.884 12.658
7 HB3 SER 2 2HB SER 2 -26.713 -14.735 11.539
8 HG SER 2 HG SER 2 -27.011 -16.726 10.922
9 H SER 3 H SER 3 -27.665 -14.024 14.906
10 HA SER 3 HA SER 3 -27.566 -11.968 15.876
11 HB2 SER 3 1HB SER 3 -24.650 -12.746 15.992
12 HB3 SER 3 2HB SER 3 -25.271 -11.265 16.721
13 HG SER 3 HG SER 3 -25.771 -12.471 18.356
14 H GLY 4 H GLY 4 -27.713 -11.961 13.102
15 HA2 GLY 4 1HA GLY 4 -27.630 -10.398 11.412
16 HA3 GLY 4 2HA GLY 4 -26.830 -9.308 12.534
17 H SER 5 H SER 5 -26.453 -11.378 9.862
18 HA SER 5 HA SER 5 -23.521 -11.184 10.048
19 HB2 SER 5 1HB SER 5 -25.353 -13.230 8.886
20 HB3 SER 5 2HB SER 5 -23.800 -12.970 8.092
21 HG SER 5 HG SER 5 -23.115 -13.110 10.527
22 H SER 6 H SER 6 -24.944 -8.936 9.257
23 HA SER 6 HA SER 6 -25.028 -8.804 6.378
24 HB2 SER 6 1HB SER 6 -25.490 -6.358 6.808
25 HB3 SER 6 2HB SER 6 -26.635 -7.472 7.556
26 HG SER 6 HG SER 6 -25.824 -5.739 8.935
27 H GLY 7 H GLY 7 -23.172 -6.991 8.836
28 HA2 GLY 7 1HA GLY 7 -21.408 -5.602 7.381
29 HA3 GLY 7 2HA GLY 7 -20.908 -6.461 8.830
30 H THR 8 H THR 8 -19.593 -5.869 6.166
31 HA THR 8 HA THR 8 -19.049 -8.611 5.272
32 HB THR 8 HB THR 8 -18.222 -6.016 3.958
33 HG1 THR 8 HG1 THR 8 -20.522 -6.382 3.973
34 HG21 THR 8 3HG2 THR 8 -18.296 -7.986 2.044
35 HG22 THR 8 1HG2 THR 8 -17.645 -8.835 3.446
36 HG23 THR 8 2HG2 THR 8 -16.841 -7.387 2.840
37 H ASP 9 H ASP 9 -17.122 -9.566 5.578
38 HA ASP 9 HA ASP 9 -14.950 -7.935 6.722
39 HB2 ASP 9 1HB ASP 9 -15.503 -9.210 8.558
40 HB3 ASP 9 2HB ASP 9 -16.073 -10.560 7.581
41 H SER 10 H SER 10 -13.477 -7.717 5.164
42 HA SER 10 HA SER 10 -12.296 -10.105 4.015
43 HB2 SER 10 1HB SER 10 -14.067 -9.568 2.402
44 HB3 SER 10 2HB SER 10 -13.449 -7.923 2.259
45 HG SER 10 HG SER 10 -11.406 -9.032 1.616
46 H LYS 11 H LYS 11 -10.153 -9.882 3.662
47 HA LYS 11 HA LYS 11 -8.825 -7.587 4.680
48 HB2 LYS 11 1HB LYS 11 -6.792 -8.736 4.196
49 HB3 LYS 11 2HB LYS 11 -7.948 -9.946 4.738
50 HG2 LYS 11 1HG LYS 11 -8.394 -10.500 2.356
51 HG3 LYS 11 2HG LYS 11 -7.096 -9.392 1.905
52 HD2 LYS 11 1HD LYS 11 -6.021 -11.447 1.947
53 HD3 LYS 11 2HD LYS 11 -5.661 -10.791 3.546
54 HE2 LYS 11 1HE LYS 11 -6.319 -12.929 4.079
55 HE3 LYS 11 2HE LYS 11 -7.843 -12.056 4.231
56 HZ1 LYS 11 3HZ LYS 11 -7.909 -12.754 1.660
57 HZ2 LYS 11 1HZ LYS 11 -8.581 -13.688 2.901
58 HZ3 LYS 11 2HZ LYS 11 -7.046 -14.061 2.297
59 H SER 12 H SER 12 -7.815 -5.919 3.658
60 HA SER 12 HA SER 12 -7.339 -5.850 0.849
61 HB2 SER 12 1HB SER 12 -9.803 -4.546 1.943
62 HB3 SER 12 2HB SER 12 -8.937 -3.769 0.618
63 HG SER 12 HG SER 12 -10.540 -5.963 0.587
64 H TYR 13 H TYR 13 -5.570 -4.664 0.641
65 HA TYR 13 HA TYR 13 -4.924 -2.692 2.701
66 HB2 TYR 13 1HB TYR 13 -3.139 -3.678 0.473
67 HB3 TYR 13 2HB TYR 13 -2.656 -2.835 1.941
68 HD1 TYR 13 HD2 TYR 13 -3.034 -4.034 4.172
69 HD2 TYR 13 HD1 TYR 13 -3.196 -6.016 0.411
70 HE1 TYR 13 HE2 TYR 13 -2.681 -6.191 5.300
71 HE2 TYR 13 HE1 TYR 13 -2.845 -8.179 1.529
72 HH TYR 13 HH TYR 13 -2.112 -9.131 3.508
73 H ASN 14 H ASN 14 -5.564 -0.681 2.323
74 HA ASN 14 HA ASN 14 -5.388 0.353 -0.431
75 HB2 ASN 14 1HB ASN 14 -7.308 1.209 1.746
76 HB3 ASN 14 2HB ASN 14 -7.237 1.869 0.115
77 HD21 ASN 14 1HD2 ASN 14 -7.700 -1.155 1.885
78 HD22 ASN 14 2HD2 ASN 14 -8.813 -1.848 0.759
79 H CYS 15 H CYS 15 -4.367 2.272 -0.773
80 HA CYS 15 HA CYS 15 -2.781 3.301 1.439
81 HB2 CYS 15 1HB CYS 15 -1.831 2.781 -0.865
82 HB3 CYS 15 2HB CYS 15 -2.691 4.207 -1.438
83 H ASN 16 H ASN 16 -4.719 4.205 2.492
84 HA ASN 16 HA ASN 16 -6.456 6.072 1.584
85 HB2 ASN 16 1HB ASN 16 -6.141 7.164 3.936
86 HB3 ASN 16 2HB ASN 16 -6.751 5.516 3.822
87 HD21 ASN 16 1HD2 ASN 16 -5.260 3.777 4.182
88 HD22 ASN 16 2HD2 ASN 16 -3.892 4.016 5.209
89 H GLU 17 H GLU 17 -3.043 6.448 1.923
90 HA GLU 17 HA GLU 17 -2.866 9.250 2.064
91 HB2 GLU 17 1HB GLU 17 -0.880 8.115 2.539
92 HB3 GLU 17 2HB GLU 17 -1.010 7.092 1.116
93 HG2 GLU 17 1HG GLU 17 0.740 8.579 0.665
94 HG3 GLU 17 2HG GLU 17 -0.637 9.180 -0.257
95 H CYS 18 H CYS 18 -2.736 7.068 -0.746
96 HA CYS 18 HA CYS 18 -3.212 9.396 -2.483
97 HB2 CYS 18 1HB CYS 18 -2.300 8.043 -4.309
98 HB3 CYS 18 2HB CYS 18 -1.152 8.153 -2.979
99 H GLY 19 H GLY 19 -4.183 6.028 -1.920
100 HA2 GLY 19 1HA GLY 19 -6.596 5.579 -1.895
101 HA3 GLY 19 2HA GLY 19 -6.731 6.655 -3.279
102 H LYS 20 H LYS 20 -4.389 4.064 -2.658
103 HA LYS 20 HA LYS 20 -5.443 2.667 -5.028
104 HB2 LYS 20 1HB LYS 20 -3.144 3.882 -5.195
105 HB3 LYS 20 2HB LYS 20 -2.550 2.529 -4.243
106 HG2 LYS 20 1HG LYS 20 -2.803 1.036 -5.943
107 HG3 LYS 20 2HG LYS 20 -4.149 1.920 -6.667
108 HD2 LYS 20 1HD LYS 20 -2.292 2.141 -8.140
109 HD3 LYS 20 2HD LYS 20 -2.495 3.695 -7.327
110 HE2 LYS 20 1HE LYS 20 -0.750 2.897 -5.672
111 HE3 LYS 20 2HE LYS 20 -0.438 1.565 -6.785
112 HZ1 LYS 20 3HZ LYS 20 0.463 4.251 -6.916
113 HZ2 LYS 20 1HZ LYS 20 -0.392 3.852 -8.321
114 HZ3 LYS 20 2HZ LYS 20 0.937 2.919 -7.846
115 H ALA 21 H ALA 21 -5.944 0.581 -4.763
116 HA ALA 21 HA ALA 21 -5.353 -0.651 -2.173
117 HB1 ALA 21 3HB ALA 21 -7.045 -2.341 -3.616
118 HB2 ALA 21 1HB ALA 21 -7.486 -1.253 -2.300
119 HB3 ALA 21 2HB ALA 21 -7.596 -0.705 -3.973
120 H PHE 22 H PHE 22 -3.817 -2.135 -1.989
121 HA PHE 22 HA PHE 22 -2.814 -3.429 -4.431
122 HB2 PHE 22 1HB PHE 22 -1.444 -3.105 -1.753
123 HB3 PHE 22 2HB PHE 22 -0.730 -3.800 -3.205
124 HD1 PHE 22 HD1 PHE 22 -1.814 -0.716 -1.564
125 HD2 PHE 22 HD2 PHE 22 -0.010 -2.404 -5.029
126 HE1 PHE 22 HE1 PHE 22 -1.041 1.518 -2.246
127 HE2 PHE 22 HE2 PHE 22 0.766 -0.173 -5.717
128 HZ PHE 22 HZ PHE 22 0.252 1.792 -4.324
129 H THR 23 H THR 23 -3.011 -5.561 -4.693
130 HA THR 23 HA THR 23 -4.658 -7.131 -3.091
131 HB THR 23 HB THR 23 -3.672 -9.091 -4.318
132 HG1 THR 23 HG1 THR 23 -2.276 -8.260 -6.160
133 HG21 THR 23 3HG2 THR 23 -5.384 -8.485 -5.631
134 HG22 THR 23 1HG2 THR 23 -4.169 -7.731 -6.662
135 HG23 THR 23 2HG2 THR 23 -5.022 -6.768 -5.455
136 H ARG 24 H ARG 24 -1.124 -6.893 -3.159
137 HA ARG 24 HA ARG 24 -0.951 -8.722 -0.880
138 HB2 ARG 24 1HB ARG 24 1.331 -7.479 -2.417
139 HB3 ARG 24 2HB ARG 24 1.397 -8.861 -1.332
140 HG2 ARG 24 1HG ARG 24 -0.091 -8.804 -3.948
141 HG3 ARG 24 2HG ARG 24 1.522 -9.481 -3.713
142 HD2 ARG 24 1HD ARG 24 -0.667 -10.416 -1.932
143 HD3 ARG 24 2HD ARG 24 -0.659 -10.981 -3.602
144 HE ARG 24 HE ARG 24 1.852 -11.495 -2.862
145 HH11 ARG 24 1HH1 ARG 24 -1.178 -12.120 -1.265
146 HH12 ARG 24 2HH1 ARG 24 -0.606 -13.537 -0.450
147 HH21 ARG 24 1HH2 ARG 24 2.617 -13.359 -1.793
148 HH22 ARG 24 2HH2 ARG 24 1.554 -14.240 -0.750
149 H ILE 25 H ILE 25 1.078 -7.984 0.580
150 HA ILE 25 HA ILE 25 0.280 -5.372 1.644
151 HB ILE 25 HB ILE 25 0.186 -7.229 3.222
152 HG12 ILE 25 1HG1 ILE 25 1.958 -6.262 4.894
153 HG13 ILE 25 2HG1 ILE 25 2.215 -5.059 3.635
154 HG21 ILE 25 1HG2 ILE 25 2.394 -8.185 1.936
155 HG22 ILE 25 2HG2 ILE 25 3.080 -7.589 3.447
156 HG23 ILE 25 3HG2 ILE 25 1.781 -8.781 3.479
157 HD11 ILE 25 3HD1 ILE 25 0.553 -4.550 5.523
158 HD12 ILE 25 1HD1 ILE 25 0.084 -4.186 3.862
159 HD13 ILE 25 2HD1 ILE 25 -0.533 -5.636 4.656
160 H PHE 26 H PHE 26 3.066 -7.165 0.474
161 HA PHE 26 HA PHE 26 5.051 -5.297 1.193
162 HB2 PHE 26 1HB PHE 26 6.474 -6.458 -0.419
163 HB3 PHE 26 2HB PHE 26 5.556 -7.618 0.536
164 HD1 PHE 26 HD2 PHE 26 5.948 -6.085 -2.770
165 HD2 PHE 26 HD1 PHE 26 3.884 -9.010 -0.469
166 HE1 PHE 26 HE2 PHE 26 5.107 -7.114 -4.840
167 HE2 PHE 26 HE1 PHE 26 3.039 -10.045 -2.535
168 HZ PHE 26 HZ PHE 26 3.649 -9.096 -4.724
169 H HIS 27 H HIS 27 3.073 -5.664 -1.713
170 HA HIS 27 HA HIS 27 4.314 -3.751 -3.320
171 HB2 HIS 27 1HB HIS 27 2.338 -5.451 -3.777
172 HB3 HIS 27 2HB HIS 27 1.343 -4.043 -3.416
173 HD2 HIS 27 HD2 HIS 27 3.228 -5.561 -6.340
174 HE1 HIS 27 HE1 HIS 27 2.374 -1.546 -7.412
175 HE2 HIS 27 HE2 HIS 27 3.091 -3.813 -8.242
176 H LEU 28 H LEU 28 1.928 -3.403 -0.765
177 HA LEU 28 HA LEU 28 1.377 -0.648 -1.275
178 HB2 LEU 28 1HB LEU 28 -0.276 -1.905 -0.133
179 HB3 LEU 28 2HB LEU 28 0.880 -2.450 1.080
180 HG LEU 28 HG LEU 28 0.991 -0.183 1.994
181 HD11 LEU 28 1HD1 LEU 28 -1.209 1.118 0.950
182 HD12 LEU 28 2HD1 LEU 28 -0.407 0.445 -0.469
183 HD13 LEU 28 3HD1 LEU 28 0.483 1.500 0.629
184 HD21 LEU 28 3HD2 LEU 28 -1.921 -0.814 1.792
185 HD22 LEU 28 1HD2 LEU 28 -0.971 -0.320 3.193
186 HD23 LEU 28 2HD2 LEU 28 -0.828 -1.962 2.566
187 H THR 29 H THR 29 3.340 -2.345 1.160
188 HA THR 29 HA THR 29 4.303 -0.081 2.488
189 HB THR 29 HB THR 29 5.771 -2.698 2.113
190 HG1 THR 29 HG1 THR 29 3.959 -3.340 3.089
191 HG21 THR 29 3HG2 THR 29 6.917 -2.150 4.149
192 HG22 THR 29 1HG2 THR 29 5.927 -0.709 4.377
193 HG23 THR 29 2HG2 THR 29 7.083 -0.783 3.047
194 H ARG 30 H ARG 30 5.644 -1.872 -0.266
195 HA ARG 30 HA ARG 30 7.965 -0.231 -0.497
196 HB2 ARG 30 1HB ARG 30 8.538 -1.537 -2.328
197 HB3 ARG 30 2HB ARG 30 7.545 -2.639 -1.383
198 HG2 ARG 30 1HG ARG 30 5.601 -1.892 -2.837
199 HG3 ARG 30 2HG ARG 30 6.814 -1.154 -3.884
200 HD2 ARG 30 1HD ARG 30 6.856 -4.052 -3.065
201 HD3 ARG 30 2HD ARG 30 6.090 -3.468 -4.542
202 HE ARG 30 HE ARG 30 8.888 -3.834 -4.083
203 HH11 ARG 30 1HH1 ARG 30 6.538 -1.971 -5.851
204 HH12 ARG 30 2HH1 ARG 30 7.623 -1.587 -7.145
205 HH21 ARG 30 1HH2 ARG 30 10.327 -3.335 -5.781
206 HH22 ARG 30 2HH2 ARG 30 9.778 -2.364 -7.105
207 H HIS 31 H HIS 31 4.702 0.053 -1.542
208 HA HIS 31 HA HIS 31 5.218 1.877 -3.703
209 HB2 HIS 31 1HB HIS 31 3.214 0.791 -4.051
210 HB3 HIS 31 2HB HIS 31 2.788 0.804 -2.342
211 HD1 HIS 31 HD1 HIS 31 2.965 3.180 -5.292
212 HD2 HIS 31 HD2 HIS 31 1.056 2.780 -1.624
213 HE1 HIS 31 HE1 HIS 31 1.283 5.047 -5.203
214 H GLN 32 H GLN 32 3.690 2.247 -0.500
215 HA GLN 32 HA GLN 32 3.226 4.887 -0.356
216 HB2 GLN 32 1HB GLN 32 4.469 3.111 1.739
217 HB3 GLN 32 2HB GLN 32 3.973 4.764 2.077
218 HG2 GLN 32 1HG GLN 32 1.676 4.148 1.330
219 HG3 GLN 32 2HG GLN 32 2.222 2.476 1.221
220 HE21 GLN 32 1HE2 GLN 32 0.690 4.649 3.137
221 HE22 GLN 32 2HE2 GLN 32 0.938 3.907 4.678
222 H LYS 33 H LYS 33 6.356 3.404 -0.548
223 HA LYS 33 HA LYS 33 8.051 5.333 0.424
224 HB2 LYS 33 1HB LYS 33 8.326 3.523 -1.971
225 HB3 LYS 33 2HB LYS 33 9.634 4.564 -1.425
226 HG2 LYS 33 1HG LYS 33 9.725 3.433 0.691
227 HG3 LYS 33 2HG LYS 33 8.298 2.477 0.285
228 HD2 LYS 33 1HD LYS 33 9.503 1.385 -1.512
229 HD3 LYS 33 2HD LYS 33 10.917 2.399 -1.214
230 HE2 LYS 33 1HE LYS 33 11.441 1.313 0.759
231 HE3 LYS 33 2HE LYS 33 9.794 0.728 0.995
232 HZ1 LYS 33 3HZ LYS 33 11.543 -0.226 -1.200
233 HZ2 LYS 33 1HZ LYS 33 10.087 -0.902 -0.665
234 HZ3 LYS 33 2HZ LYS 33 11.466 -0.985 0.310
235 H ILE 34 H ILE 34 6.644 5.176 -2.838
236 HA ILE 34 HA ILE 34 7.825 7.332 -4.032
237 HB ILE 34 HB ILE 34 5.877 7.563 -5.436
238 HG12 ILE 34 1HG1 ILE 34 4.300 5.613 -3.817
239 HG13 ILE 34 2HG1 ILE 34 4.350 7.289 -3.282
240 HG21 ILE 34 1HG2 ILE 34 5.435 4.863 -5.562
241 HG22 ILE 34 2HG2 ILE 34 6.773 5.719 -6.328
242 HG23 ILE 34 3HG2 ILE 34 7.000 4.958 -4.754
243 HD11 ILE 34 3HD1 ILE 34 3.066 6.089 -5.657
244 HD12 ILE 34 1HD1 ILE 34 2.517 7.390 -4.601
245 HD13 ILE 34 2HD1 ILE 34 3.742 7.708 -5.830
246 H HIS 35 H HIS 35 5.542 7.348 -1.430
247 HA HIS 35 HA HIS 35 4.873 10.145 -1.716
248 HB2 HIS 35 1HB HIS 35 4.289 8.172 0.502
249 HB3 HIS 35 2HB HIS 35 3.657 9.814 0.427
250 HD1 HIS 35 HD1 HIS 35 2.650 10.034 -2.386
251 HD2 HIS 35 HD2 HIS 35 2.190 6.587 -0.113
252 HE1 HIS 35 HE1 HIS 35 0.707 8.808 -3.408
253 H THR 36 H THR 36 6.954 11.100 -1.629
254 HA THR 36 HA THR 36 8.152 11.119 1.066
255 HB THR 36 HB THR 36 10.291 11.777 -0.053
256 HG1 THR 36 HG1 THR 36 10.365 11.982 -2.171
257 HG21 THR 36 3HG2 THR 36 10.950 9.590 -0.443
258 HG22 THR 36 1HG2 THR 36 9.422 9.156 -1.208
259 HG23 THR 36 2HG2 THR 36 9.505 9.362 0.542
260 H ARG 37 H ARG 37 7.420 13.049 -1.810
261 HA ARG 37 HA ARG 37 7.159 15.404 -0.101
262 HB2 ARG 37 1HB ARG 37 8.844 15.332 -2.610
263 HB3 ARG 37 2HB ARG 37 8.412 16.791 -1.730
264 HG2 ARG 37 1HG ARG 37 9.722 16.181 0.130
265 HG3 ARG 37 2HG ARG 37 9.908 14.525 -0.451
266 HD2 ARG 37 1HD ARG 37 11.332 15.217 -2.222
267 HD3 ARG 37 2HD ARG 37 10.954 16.917 -1.947
268 HE ARG 37 HE ARG 37 12.064 16.018 0.402
269 HH11 ARG 37 1HH1 ARG 37 13.045 16.222 -2.932
270 HH12 ARG 37 2HH1 ARG 37 14.728 16.404 -2.561
271 HH21 ARG 37 1HH2 ARG 37 14.276 16.257 0.903
272 HH22 ARG 37 2HH2 ARG 37 15.427 16.422 -0.380
273 H LYS 38 H LYS 38 5.967 17.155 -1.129
274 HA LYS 38 HA LYS 38 4.057 16.116 -3.107
275 HB2 LYS 38 1HB LYS 38 2.532 17.870 -2.292
276 HB3 LYS 38 2HB LYS 38 3.042 16.790 -1.001
277 HG2 LYS 38 1HG LYS 38 4.894 18.656 -0.677
278 HG3 LYS 38 2HG LYS 38 3.651 19.657 -1.433
279 HD2 LYS 38 1HD LYS 38 3.117 17.873 0.934
280 HD3 LYS 38 2HD LYS 38 3.603 19.563 1.090
281 HE2 LYS 38 1HE LYS 38 1.640 20.206 -0.276
282 HE3 LYS 38 2HE LYS 38 1.140 18.515 -0.302
283 HZ1 LYS 38 3HZ LYS 38 1.297 18.763 2.262
284 HZ2 LYS 38 1HZ LYS 38 -0.069 19.339 1.445
285 HZ3 LYS 38 2HZ LYS 38 1.138 20.416 1.939
286 H SER 39 H SER 39 6.574 17.042 -3.980
287 HA SER 39 HA SER 39 6.012 19.676 -5.138
288 HB2 SER 39 1HB SER 39 8.426 19.584 -5.842
289 HB3 SER 39 2HB SER 39 8.178 19.539 -4.096
290 HG SER 39 HG SER 39 9.028 17.619 -4.043
291 H GLY 40 H GLY 40 4.397 18.771 -6.585
292 HA2 GLY 40 1HA GLY 40 4.851 16.771 -8.468
293 HA3 GLY 40 2HA GLY 40 3.725 18.104 -8.675
294 HA PRO 41 HA PRO 41 7.354 18.353 -11.698
295 HB2 PRO 41 1HB PRO 41 5.936 17.892 -13.966
296 HB3 PRO 41 2HB PRO 41 6.688 16.599 -13.025
297 HG2 PRO 41 1HG PRO 41 3.840 17.521 -13.039
298 HG3 PRO 41 2HG PRO 41 4.481 15.867 -13.027
299 HD2 PRO 41 1HD PRO 41 3.561 17.090 -10.793
300 HD3 PRO 41 2HD PRO 41 4.883 15.906 -10.758
301 H SER 42 H SER 42 4.605 19.946 -10.835
302 HA SER 42 HA SER 42 3.989 22.136 -11.058
303 HB2 SER 42 1HB SER 42 6.506 22.480 -11.424
304 HB3 SER 42 2HB SER 42 6.133 22.502 -13.147
305 HG SER 42 HG SER 42 4.633 24.138 -11.450
306 H SER 43 H SER 43 2.576 20.244 -12.378
307 HA SER 43 HA SER 43 2.056 21.409 -15.032
308 HB2 SER 43 1HB SER 43 2.679 19.005 -15.029
309 HB3 SER 43 2HB SER 43 1.283 18.666 -14.007
310 HG SER 43 HG SER 43 0.837 20.067 -16.375
311 H GLY 44 H GLY 44 1.077 22.730 -12.790
312 HA2 GLY 44 1HA GLY 44 -0.856 23.570 -11.876
313 HA3 GLY 44 2HA GLY 44 -1.584 23.148 -13.419
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -28.928 -6.425 16.602
2 HA2 GLY 1 1HA GLY 1 -27.581 -7.268 18.397
3 HA3 GLY 1 2HA GLY 1 -28.850 -8.431 18.753
4 H SER 2 H SER 2 -29.345 -9.630 16.396
5 HA SER 2 HA SER 2 -27.392 -11.556 16.164
6 HB2 SER 2 1HB SER 2 -29.617 -11.919 15.280
7 HB3 SER 2 2HB SER 2 -29.393 -10.640 14.086
8 HG SER 2 HG SER 2 -27.551 -12.000 13.351
9 H SER 3 H SER 3 -27.981 -8.970 13.775
10 HA SER 3 HA SER 3 -25.910 -9.331 12.075
11 HB2 SER 3 1HB SER 3 -27.648 -7.487 12.007
12 HB3 SER 3 2HB SER 3 -26.625 -6.589 13.128
13 HG SER 3 HG SER 3 -25.394 -6.066 11.516
14 H GLY 4 H GLY 4 -25.678 -7.276 14.988
15 HA2 GLY 4 1HA GLY 4 -23.882 -6.729 16.309
16 HA3 GLY 4 2HA GLY 4 -23.178 -8.257 15.803
17 H SER 5 H SER 5 -21.664 -8.298 14.163
18 HA SER 5 HA SER 5 -20.916 -5.730 12.959
19 HB2 SER 5 1HB SER 5 -18.616 -5.958 13.527
20 HB3 SER 5 2HB SER 5 -19.510 -6.254 15.019
21 HG SER 5 HG SER 5 -18.584 -8.126 15.076
22 H SER 6 H SER 6 -20.165 -5.852 10.894
23 HA SER 6 HA SER 6 -20.835 -8.011 9.294
24 HB2 SER 6 1HB SER 6 -20.144 -5.519 8.723
25 HB3 SER 6 2HB SER 6 -18.565 -6.257 8.453
26 HG SER 6 HG SER 6 -20.754 -7.535 7.314
27 H GLY 7 H GLY 7 -19.377 -9.367 7.960
28 HA2 GLY 7 1HA GLY 7 -17.233 -10.450 9.660
29 HA3 GLY 7 2HA GLY 7 -18.086 -11.335 8.404
30 H THR 8 H THR 8 -15.180 -10.159 9.133
31 HA THR 8 HA THR 8 -14.537 -9.492 6.333
32 HB THR 8 HB THR 8 -12.510 -8.324 7.287
33 HG1 THR 8 HG1 THR 8 -12.302 -8.919 9.352
34 HG21 THR 8 3HG2 THR 8 -15.093 -7.127 8.266
35 HG22 THR 8 1HG2 THR 8 -14.672 -7.206 6.556
36 HG23 THR 8 2HG2 THR 8 -13.659 -6.291 7.673
37 H ASP 9 H ASP 9 -14.103 -11.603 5.691
38 HA ASP 9 HA ASP 9 -12.309 -13.292 7.159
39 HB2 ASP 9 1HB ASP 9 -14.227 -13.905 5.456
40 HB3 ASP 9 2HB ASP 9 -12.933 -13.755 4.271
41 H SER 10 H SER 10 -12.090 -11.512 4.085
42 HA SER 10 HA SER 10 -9.160 -11.555 4.383
43 HB2 SER 10 1HB SER 10 -9.001 -11.633 1.900
44 HB3 SER 10 2HB SER 10 -9.759 -13.072 2.580
45 HG SER 10 HG SER 10 -10.846 -11.059 1.008
46 H LYS 11 H LYS 11 -9.131 -9.508 5.320
47 HA LYS 11 HA LYS 11 -10.477 -7.242 4.414
48 HB2 LYS 11 1HB LYS 11 -8.923 -5.957 5.715
49 HB3 LYS 11 2HB LYS 11 -9.250 -7.452 6.582
50 HG2 LYS 11 1HG LYS 11 -7.145 -8.376 5.903
51 HG3 LYS 11 2HG LYS 11 -6.831 -6.995 4.850
52 HD2 LYS 11 1HD LYS 11 -5.568 -6.567 6.779
53 HD3 LYS 11 2HD LYS 11 -7.013 -5.570 6.966
54 HE2 LYS 11 1HE LYS 11 -7.914 -6.966 8.593
55 HE3 LYS 11 2HE LYS 11 -6.912 -8.334 8.113
56 HZ1 LYS 11 3HZ LYS 11 -6.421 -6.575 10.165
57 HZ2 LYS 11 1HZ LYS 11 -5.319 -6.136 8.959
58 HZ3 LYS 11 2HZ LYS 11 -5.347 -7.723 9.541
59 H SER 12 H SER 12 -9.038 -5.227 3.687
60 HA SER 12 HA SER 12 -7.349 -6.035 1.425
61 HB2 SER 12 1HB SER 12 -8.460 -4.296 0.020
62 HB3 SER 12 2HB SER 12 -9.537 -5.619 0.466
63 HG SER 12 HG SER 12 -9.423 -3.327 2.081
64 H TYR 13 H TYR 13 -5.644 -4.706 0.993
65 HA TYR 13 HA TYR 13 -5.220 -2.507 2.896
66 HB2 TYR 13 1HB TYR 13 -3.091 -3.800 1.200
67 HB3 TYR 13 2HB TYR 13 -2.889 -2.851 2.669
68 HD1 TYR 13 HD2 TYR 13 -3.697 -3.846 4.861
69 HD2 TYR 13 HD1 TYR 13 -3.313 -6.138 1.297
70 HE1 TYR 13 HE2 TYR 13 -3.681 -5.911 6.198
71 HE2 TYR 13 HE1 TYR 13 -3.297 -8.209 2.624
72 HH TYR 13 HH TYR 13 -4.052 -8.993 4.823
73 H ASN 14 H ASN 14 -5.684 -0.572 2.096
74 HA ASN 14 HA ASN 14 -4.784 0.067 -0.630
75 HB2 ASN 14 1HB ASN 14 -6.868 1.618 -0.669
76 HB3 ASN 14 2HB ASN 14 -7.085 -0.101 -0.984
77 HD21 ASN 14 1HD2 ASN 14 -9.307 0.350 -0.390
78 HD22 ASN 14 2HD2 ASN 14 -9.750 0.343 1.280
79 H CYS 15 H CYS 15 -4.011 2.142 -0.955
80 HA CYS 15 HA CYS 15 -3.091 3.494 1.423
81 HB2 CYS 15 1HB CYS 15 -1.643 3.193 -0.576
82 HB3 CYS 15 2HB CYS 15 -2.716 4.255 -1.481
83 H ASN 16 H ASN 16 -3.698 5.480 2.168
84 HA ASN 16 HA ASN 16 -6.182 6.560 1.042
85 HB2 ASN 16 1HB ASN 16 -6.703 7.396 3.160
86 HB3 ASN 16 2HB ASN 16 -5.899 5.873 3.529
87 HD21 ASN 16 1HD2 ASN 16 -3.610 5.982 4.076
88 HD22 ASN 16 2HD2 ASN 16 -3.020 7.372 4.916
89 H GLU 17 H GLU 17 -2.927 7.498 2.042
90 HA GLU 17 HA GLU 17 -2.964 10.207 1.818
91 HB2 GLU 17 1HB GLU 17 -0.987 8.594 2.256
92 HB3 GLU 17 2HB GLU 17 -0.756 8.642 0.514
93 HG2 GLU 17 1HG GLU 17 -0.926 11.175 2.087
94 HG3 GLU 17 2HG GLU 17 0.578 10.259 2.017
95 H CYS 18 H CYS 18 -2.379 7.980 -0.906
96 HA CYS 18 HA CYS 18 -3.023 10.171 -2.753
97 HB2 CYS 18 1HB CYS 18 -1.925 8.828 -4.477
98 HB3 CYS 18 2HB CYS 18 -0.853 9.064 -3.100
99 H GLY 19 H GLY 19 -3.764 6.765 -2.081
100 HA2 GLY 19 1HA GLY 19 -6.071 6.033 -2.150
101 HA3 GLY 19 2HA GLY 19 -6.337 7.165 -3.468
102 H LYS 20 H LYS 20 -4.675 4.171 -2.588
103 HA LYS 20 HA LYS 20 -5.232 3.108 -5.230
104 HB2 LYS 20 1HB LYS 20 -2.916 4.300 -5.170
105 HB3 LYS 20 2HB LYS 20 -2.404 2.892 -4.250
106 HG2 LYS 20 1HG LYS 20 -2.908 1.430 -6.062
107 HG3 LYS 20 2HG LYS 20 -3.691 2.730 -6.964
108 HD2 LYS 20 1HD LYS 20 -1.601 3.865 -7.264
109 HD3 LYS 20 2HD LYS 20 -0.779 2.740 -6.179
110 HE2 LYS 20 1HE LYS 20 -0.907 0.984 -7.722
111 HE3 LYS 20 2HE LYS 20 -2.158 1.788 -8.668
112 HZ1 LYS 20 3HZ LYS 20 0.118 3.427 -8.604
113 HZ2 LYS 20 1HZ LYS 20 -0.596 2.669 -9.938
114 HZ3 LYS 20 2HZ LYS 20 0.603 1.869 -9.053
115 H ALA 21 H ALA 21 -6.070 1.165 -4.905
116 HA ALA 21 HA ALA 21 -5.649 -0.233 -2.411
117 HB1 ALA 21 3HB ALA 21 -7.662 -0.180 -4.422
118 HB2 ALA 21 1HB ALA 21 -7.107 -1.843 -4.223
119 HB3 ALA 21 2HB ALA 21 -7.707 -0.940 -2.831
120 H PHE 22 H PHE 22 -4.672 -2.223 -2.138
121 HA PHE 22 HA PHE 22 -3.263 -3.364 -4.446
122 HB2 PHE 22 1HB PHE 22 -1.977 -2.919 -1.745
123 HB3 PHE 22 2HB PHE 22 -1.212 -3.607 -3.174
124 HD1 PHE 22 HD2 PHE 22 -0.731 -2.170 -5.127
125 HD2 PHE 22 HD1 PHE 22 -2.178 -0.577 -1.455
126 HE1 PHE 22 HE2 PHE 22 -0.003 0.076 -5.819
127 HE2 PHE 22 HE1 PHE 22 -1.453 1.672 -2.141
128 HZ PHE 22 HZ PHE 22 -0.363 2.000 -4.325
129 H THR 23 H THR 23 -3.333 -5.529 -4.551
130 HA THR 23 HA THR 23 -4.982 -6.970 -2.727
131 HB THR 23 HB THR 23 -4.379 -8.962 -4.071
132 HG1 THR 23 HG1 THR 23 -2.476 -7.159 -5.074
133 HG21 THR 23 3HG2 THR 23 -6.185 -8.060 -5.100
134 HG22 THR 23 1HG2 THR 23 -5.016 -7.717 -6.374
135 HG23 THR 23 2HG2 THR 23 -5.454 -6.460 -5.217
136 H ARG 24 H ARG 24 -1.504 -6.758 -3.279
137 HA ARG 24 HA ARG 24 -0.972 -8.738 -1.213
138 HB2 ARG 24 1HB ARG 24 0.685 -7.294 -3.242
139 HB3 ARG 24 2HB ARG 24 1.473 -7.989 -1.831
140 HG2 ARG 24 1HG ARG 24 1.134 -10.122 -2.518
141 HG3 ARG 24 2HG ARG 24 -0.383 -9.736 -3.333
142 HD2 ARG 24 1HD ARG 24 1.000 -8.510 -5.054
143 HD3 ARG 24 2HD ARG 24 2.422 -9.233 -4.302
144 HE ARG 24 HE ARG 24 0.583 -10.511 -6.066
145 HH11 ARG 24 1HH1 ARG 24 2.696 -11.053 -3.352
146 HH12 ARG 24 2HH1 ARG 24 2.943 -12.729 -3.712
147 HH21 ARG 24 1HH2 ARG 24 0.900 -12.717 -6.550
148 HH22 ARG 24 2HH2 ARG 24 1.921 -13.675 -5.532
149 H ILE 25 H ILE 25 0.554 -8.247 0.535
150 HA ILE 25 HA ILE 25 -0.105 -5.692 1.752
151 HB ILE 25 HB ILE 25 -0.286 -7.704 3.122
152 HG12 ILE 25 1HG1 ILE 25 1.192 -6.952 5.027
153 HG13 ILE 25 2HG1 ILE 25 1.907 -5.784 3.922
154 HG21 ILE 25 1HG2 ILE 25 1.676 -8.985 3.771
155 HG22 ILE 25 2HG2 ILE 25 1.467 -9.017 2.021
156 HG23 ILE 25 3HG2 ILE 25 2.694 -7.976 2.744
157 HD11 ILE 25 3HD1 ILE 25 -0.960 -5.595 3.881
158 HD12 ILE 25 1HD1 ILE 25 -0.339 -5.441 5.524
159 HD13 ILE 25 2HD1 ILE 25 0.246 -4.364 4.255
160 H PHE 26 H PHE 26 2.787 -7.505 0.787
161 HA PHE 26 HA PHE 26 4.671 -5.595 1.647
162 HB2 PHE 26 1HB PHE 26 6.271 -6.914 0.615
163 HB3 PHE 26 2HB PHE 26 4.973 -8.078 0.862
164 HD1 PHE 26 HD2 PHE 26 6.403 -5.761 -1.663
165 HD2 PHE 26 HD1 PHE 26 4.106 -9.269 -0.932
166 HE1 PHE 26 HE2 PHE 26 6.392 -6.252 -4.074
167 HE2 PHE 26 HE1 PHE 26 4.092 -9.767 -3.342
168 HZ PHE 26 HZ PHE 26 5.235 -8.257 -4.916
169 H HIS 27 H HIS 27 3.058 -6.094 -1.464
170 HA HIS 27 HA HIS 27 4.424 -4.223 -2.992
171 HB2 HIS 27 1HB HIS 27 1.727 -5.461 -3.101
172 HB3 HIS 27 2HB HIS 27 1.976 -4.012 -4.070
173 HD2 HIS 27 HD2 HIS 27 4.931 -4.630 -5.264
174 HE1 HIS 27 HE1 HIS 27 3.228 -8.286 -6.581
175 HE2 HIS 27 HE2 HIS 27 5.178 -6.706 -6.788
176 H LEU 28 H LEU 28 1.756 -3.776 -0.735
177 HA LEU 28 HA LEU 28 1.242 -1.064 -1.365
178 HB2 LEU 28 1HB LEU 28 -0.475 -2.140 -0.231
179 HB3 LEU 28 2HB LEU 28 0.620 -2.840 0.959
180 HG LEU 28 HG LEU 28 0.915 -0.566 1.932
181 HD11 LEU 28 1HD1 LEU 28 -1.391 0.723 1.036
182 HD12 LEU 28 2HD1 LEU 28 -0.574 0.160 -0.422
183 HD13 LEU 28 3HD1 LEU 28 0.283 1.187 0.728
184 HD21 LEU 28 3HD2 LEU 28 -2.007 -1.067 1.975
185 HD22 LEU 28 1HD2 LEU 28 -0.875 -0.830 3.307
186 HD23 LEU 28 2HD2 LEU 28 -0.947 -2.385 2.477
187 H THR 29 H THR 29 3.277 -2.626 1.076
188 HA THR 29 HA THR 29 4.082 -0.336 2.460
189 HB THR 29 HB THR 29 5.746 -2.815 1.981
190 HG1 THR 29 HG1 THR 29 3.872 -2.248 4.056
191 HG21 THR 29 3HG2 THR 29 5.883 -1.385 4.545
192 HG22 THR 29 1HG2 THR 29 6.524 -0.494 3.166
193 HG23 THR 29 2HG2 THR 29 7.173 -2.084 3.567
194 H ARG 30 H ARG 30 5.606 -1.973 -0.306
195 HA ARG 30 HA ARG 30 7.786 -0.198 -0.536
196 HB2 ARG 30 1HB ARG 30 8.174 -1.202 -2.693
197 HB3 ARG 30 2HB ARG 30 7.683 -2.460 -1.566
198 HG2 ARG 30 1HG ARG 30 5.542 -2.631 -2.526
199 HG3 ARG 30 2HG ARG 30 5.740 -1.123 -3.421
200 HD2 ARG 30 1HD ARG 30 7.799 -2.445 -4.446
201 HD3 ARG 30 2HD ARG 30 6.813 -3.834 -3.990
202 HE ARG 30 HE ARG 30 5.052 -2.315 -5.323
203 HH11 ARG 30 1HH1 ARG 30 8.294 -3.330 -6.087
204 HH12 ARG 30 2HH1 ARG 30 8.027 -3.337 -7.799
205 HH21 ARG 30 1HH2 ARG 30 4.689 -2.321 -7.574
206 HH22 ARG 30 2HH2 ARG 30 5.977 -2.762 -8.644
207 H HIS 31 H HIS 31 4.520 -0.135 -1.806
208 HA HIS 31 HA HIS 31 4.855 1.875 -3.740
209 HB2 HIS 31 1HB HIS 31 2.821 0.827 -3.970
210 HB3 HIS 31 2HB HIS 31 2.543 0.748 -2.233
211 HD1 HIS 31 HD1 HIS 31 2.449 3.261 -5.067
212 HD2 HIS 31 HD2 HIS 31 0.904 2.695 -1.252
213 HE1 HIS 31 HE1 HIS 31 0.790 5.121 -4.731
214 H GLN 32 H GLN 32 3.420 2.207 -0.487
215 HA GLN 32 HA GLN 32 3.086 4.854 -0.258
216 HB2 GLN 32 1HB GLN 32 4.404 3.110 1.830
217 HB3 GLN 32 2HB GLN 32 3.670 4.678 2.139
218 HG2 GLN 32 1HG GLN 32 1.522 3.688 1.223
219 HG3 GLN 32 2HG GLN 32 2.324 2.121 1.334
220 HE21 GLN 32 1HE2 GLN 32 -0.018 3.229 2.750
221 HE22 GLN 32 2HE2 GLN 32 0.342 3.065 4.432
222 H LYS 33 H LYS 33 6.156 3.238 -0.488
223 HA LYS 33 HA LYS 33 7.948 5.049 0.499
224 HB2 LYS 33 1HB LYS 33 8.196 3.513 -2.094
225 HB3 LYS 33 2HB LYS 33 9.532 4.245 -1.214
226 HG2 LYS 33 1HG LYS 33 7.803 2.314 0.232
227 HG3 LYS 33 2HG LYS 33 8.934 1.688 -0.970
228 HD2 LYS 33 1HD LYS 33 10.726 3.031 0.208
229 HD3 LYS 33 2HD LYS 33 9.552 3.300 1.498
230 HE2 LYS 33 1HE LYS 33 9.537 1.076 2.125
231 HE3 LYS 33 2HE LYS 33 10.099 0.521 0.549
232 HZ1 LYS 33 3HZ LYS 33 11.669 0.667 2.675
233 HZ2 LYS 33 1HZ LYS 33 11.927 2.217 2.047
234 HZ3 LYS 33 2HZ LYS 33 12.246 0.855 1.096
235 H ILE 34 H ILE 34 6.554 5.086 -2.778
236 HA ILE 34 HA ILE 34 7.774 7.230 -3.899
237 HB ILE 34 HB ILE 34 5.766 7.667 -5.189
238 HG12 ILE 34 1HG1 ILE 34 4.195 5.665 -3.626
239 HG13 ILE 34 2HG1 ILE 34 4.328 7.302 -2.992
240 HG21 ILE 34 1HG2 ILE 34 5.206 5.053 -5.567
241 HG22 ILE 34 2HG2 ILE 34 6.640 5.857 -6.201
242 HG23 ILE 34 3HG2 ILE 34 6.737 4.934 -4.702
243 HD11 ILE 34 3HD1 ILE 34 2.345 6.615 -4.544
244 HD12 ILE 34 1HD1 ILE 34 3.094 8.204 -4.690
245 HD13 ILE 34 2HD1 ILE 34 3.516 6.922 -5.826
246 H HIS 35 H HIS 35 5.556 7.280 -1.231
247 HA HIS 35 HA HIS 35 4.992 10.089 -1.362
248 HB2 HIS 35 1HB HIS 35 4.654 8.189 0.968
249 HB3 HIS 35 2HB HIS 35 3.909 9.776 0.797
250 HD1 HIS 35 HD1 HIS 35 2.870 9.533 -2.095
251 HD2 HIS 35 HD2 HIS 35 2.468 6.574 0.794
252 HE1 HIS 35 HE1 HIS 35 0.909 8.139 -2.829
253 H THR 36 H THR 36 6.863 8.107 0.942
254 HA THR 36 HA THR 36 8.108 10.416 2.105
255 HB THR 36 HB THR 36 7.678 8.396 3.444
256 HG1 THR 36 HG1 THR 36 9.296 9.214 4.526
257 HG21 THR 36 3HG2 THR 36 9.985 6.919 2.400
258 HG22 THR 36 1HG2 THR 36 8.618 7.000 1.291
259 HG23 THR 36 2HG2 THR 36 8.402 6.334 2.909
260 H ARG 37 H ARG 37 10.338 10.936 2.057
261 HA ARG 37 HA ARG 37 11.544 10.508 -0.533
262 HB2 ARG 37 1HB ARG 37 12.127 12.251 1.828
263 HB3 ARG 37 2HB ARG 37 13.393 11.968 0.640
264 HG2 ARG 37 1HG ARG 37 12.479 13.845 -0.241
265 HG3 ARG 37 2HG ARG 37 11.461 12.643 -1.037
266 HD2 ARG 37 1HD ARG 37 10.105 14.445 -0.131
267 HD3 ARG 37 2HD ARG 37 9.767 12.932 0.709
268 HE ARG 37 HE ARG 37 11.592 14.021 2.317
269 HH11 ARG 37 1HH1 ARG 37 8.768 15.395 0.814
270 HH12 ARG 37 2HH1 ARG 37 8.489 16.540 2.084
271 HH21 ARG 37 1HH2 ARG 37 11.234 15.523 3.996
272 HH22 ARG 37 2HH2 ARG 37 9.893 16.612 3.893
273 H LYS 38 H LYS 38 13.675 9.702 -0.866
274 HA LYS 38 HA LYS 38 14.463 7.704 1.146
275 HB2 LYS 38 1HB LYS 38 15.082 7.776 -1.814
276 HB3 LYS 38 2HB LYS 38 15.540 6.497 -0.697
277 HG2 LYS 38 1HG LYS 38 12.694 7.273 -1.288
278 HG3 LYS 38 2HG LYS 38 13.563 5.975 -2.110
279 HD2 LYS 38 1HD LYS 38 13.503 5.973 0.866
280 HD3 LYS 38 2HD LYS 38 12.038 5.504 -0.001
281 HE2 LYS 38 1HE LYS 38 13.050 3.466 0.161
282 HE3 LYS 38 2HE LYS 38 13.751 4.017 -1.360
283 HZ1 LYS 38 3HZ LYS 38 15.746 4.610 -0.278
284 HZ2 LYS 38 1HZ LYS 38 15.353 3.067 0.294
285 HZ3 LYS 38 2HZ LYS 38 15.071 4.424 1.262
286 H SER 39 H SER 39 15.871 9.919 -1.265
287 HA SER 39 HA SER 39 18.325 9.999 0.358
288 HB2 SER 39 1HB SER 39 18.535 9.258 -2.031
289 HB3 SER 39 2HB SER 39 17.995 10.862 -2.523
290 HG SER 39 HG SER 39 19.900 11.345 -0.862
291 H GLY 40 H GLY 40 19.279 11.984 0.880
292 HA2 GLY 40 1HA GLY 40 18.640 14.513 0.087
293 HA3 GLY 40 2HA GLY 40 17.402 14.128 1.273
294 HA PRO 41 HA PRO 41 20.052 15.154 4.605
295 HB2 PRO 41 1HB PRO 41 19.700 13.137 6.388
296 HB3 PRO 41 2HB PRO 41 18.460 14.351 6.054
297 HG2 PRO 41 1HG PRO 41 18.715 11.562 4.996
298 HG3 PRO 41 2HG PRO 41 17.270 12.412 5.573
299 HD2 PRO 41 1HD PRO 41 17.841 12.131 2.941
300 HD3 PRO 41 2HD PRO 41 16.992 13.549 3.588
301 H SER 42 H SER 42 22.103 14.874 5.434
302 HA SER 42 HA SER 42 23.939 13.360 3.995
303 HB2 SER 42 1HB SER 42 24.129 14.568 6.760
304 HB3 SER 42 2HB SER 42 25.500 13.836 5.928
305 HG SER 42 HG SER 42 24.062 16.166 5.275
306 H SER 43 H SER 43 22.648 12.737 7.257
307 HA SER 43 HA SER 43 23.041 9.872 6.804
308 HB2 SER 43 1HB SER 43 24.023 9.598 9.061
309 HB3 SER 43 2HB SER 43 25.042 10.583 8.011
310 HG SER 43 HG SER 43 23.876 12.421 9.040
311 H GLY 44 H GLY 44 21.691 8.522 8.054
312 HA2 GLY 44 1HA GLY 44 19.901 7.997 9.440
313 HA3 GLY 44 2HA GLY 44 19.811 9.687 9.915
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -25.597 5.733 22.712
2 HA2 GLY 1 1HA GLY 1 -27.374 4.665 20.698
3 HA3 GLY 1 2HA GLY 1 -26.655 6.210 20.268
4 H SER 2 H SER 2 -26.362 3.302 19.328
5 HA SER 2 HA SER 2 -23.646 3.473 18.582
6 HB2 SER 2 1HB SER 2 -23.250 2.826 20.921
7 HB3 SER 2 2HB SER 2 -24.269 1.404 20.704
8 HG SER 2 HG SER 2 -21.794 1.338 20.411
9 H SER 3 H SER 3 -23.608 2.559 16.649
10 HA SER 3 HA SER 3 -24.859 -0.024 16.209
11 HB2 SER 3 1HB SER 3 -26.086 0.783 14.194
12 HB3 SER 3 2HB SER 3 -26.704 1.466 15.697
13 HG SER 3 HG SER 3 -25.121 3.252 15.137
14 H GLY 4 H GLY 4 -24.517 -0.618 13.755
15 HA2 GLY 4 1HA GLY 4 -22.861 0.170 11.923
16 HA3 GLY 4 2HA GLY 4 -21.685 -0.047 13.210
17 H SER 5 H SER 5 -23.037 -1.481 10.572
18 HA SER 5 HA SER 5 -22.467 -4.187 11.591
19 HB2 SER 5 1HB SER 5 -23.986 -5.026 9.826
20 HB3 SER 5 2HB SER 5 -24.812 -3.943 10.946
21 HG SER 5 HG SER 5 -25.359 -3.374 8.850
22 H SER 6 H SER 6 -22.256 -2.085 8.741
23 HA SER 6 HA SER 6 -20.716 -3.793 7.141
24 HB2 SER 6 1HB SER 6 -20.979 -0.787 7.206
25 HB3 SER 6 2HB SER 6 -20.000 -1.625 6.002
26 HG SER 6 HG SER 6 -22.320 -1.124 5.509
27 H GLY 7 H GLY 7 -18.958 -4.738 8.041
28 HA2 GLY 7 1HA GLY 7 -16.934 -2.958 9.246
29 HA3 GLY 7 2HA GLY 7 -17.118 -4.661 9.636
30 H THR 8 H THR 8 -16.188 -6.206 8.336
31 HA THR 8 HA THR 8 -14.801 -5.332 5.915
32 HB THR 8 HB THR 8 -12.715 -6.472 6.598
33 HG1 THR 8 HG1 THR 8 -14.227 -6.897 8.936
34 HG21 THR 8 3HG2 THR 8 -12.118 -4.781 8.461
35 HG22 THR 8 1HG2 THR 8 -13.747 -4.157 8.203
36 HG23 THR 8 2HG2 THR 8 -12.584 -4.160 6.877
37 H ASP 9 H ASP 9 -15.503 -6.663 4.387
38 HA ASP 9 HA ASP 9 -16.436 -9.323 5.020
39 HB2 ASP 9 1HB ASP 9 -17.760 -8.249 3.405
40 HB3 ASP 9 2HB ASP 9 -16.358 -7.661 2.516
41 H SER 10 H SER 10 -13.873 -7.922 2.988
42 HA SER 10 HA SER 10 -12.338 -10.393 3.345
43 HB2 SER 10 1HB SER 10 -11.749 -10.494 0.994
44 HB3 SER 10 2HB SER 10 -13.506 -10.502 1.142
45 HG SER 10 HG SER 10 -13.350 -8.165 0.780
46 H LYS 11 H LYS 11 -10.506 -9.819 4.289
47 HA LYS 11 HA LYS 11 -9.474 -7.349 4.712
48 HB2 LYS 11 1HB LYS 11 -7.249 -8.429 4.958
49 HB3 LYS 11 2HB LYS 11 -8.535 -9.296 5.787
50 HG2 LYS 11 1HG LYS 11 -8.523 -11.038 4.246
51 HG3 LYS 11 2HG LYS 11 -7.685 -10.078 3.025
52 HD2 LYS 11 1HD LYS 11 -5.942 -11.360 3.755
53 HD3 LYS 11 2HD LYS 11 -5.806 -10.017 4.892
54 HE2 LYS 11 1HE LYS 11 -6.805 -11.240 6.625
55 HE3 LYS 11 2HE LYS 11 -7.457 -12.445 5.516
56 HZ1 LYS 11 3HZ LYS 11 -4.945 -12.403 6.838
57 HZ2 LYS 11 1HZ LYS 11 -4.728 -12.513 5.164
58 HZ3 LYS 11 2HZ LYS 11 -5.675 -13.659 5.971
59 H SER 12 H SER 12 -8.419 -5.811 3.604
60 HA SER 12 HA SER 12 -7.047 -6.408 1.129
61 HB2 SER 12 1HB SER 12 -8.353 -4.873 -0.249
62 HB3 SER 12 2HB SER 12 -9.400 -6.135 0.400
63 HG SER 12 HG SER 12 -10.215 -4.692 1.871
64 H TYR 13 H TYR 13 -5.357 -5.084 0.851
65 HA TYR 13 HA TYR 13 -4.987 -2.928 2.771
66 HB2 TYR 13 1HB TYR 13 -2.998 -3.840 0.698
67 HB3 TYR 13 2HB TYR 13 -2.683 -2.998 2.212
68 HD1 TYR 13 HD2 TYR 13 -3.101 -4.246 4.386
69 HD2 TYR 13 HD1 TYR 13 -2.984 -6.187 0.602
70 HE1 TYR 13 HE2 TYR 13 -2.717 -6.400 5.510
71 HE2 TYR 13 HE1 TYR 13 -2.601 -8.347 1.715
72 HH TYR 13 HH TYR 13 -1.994 -8.560 5.152
73 H ASN 14 H ASN 14 -5.014 -0.811 2.300
74 HA ASN 14 HA ASN 14 -4.952 0.037 -0.502
75 HB2 ASN 14 1HB ASN 14 -7.146 0.662 1.474
76 HB3 ASN 14 2HB ASN 14 -6.868 1.629 0.029
77 HD21 ASN 14 1HD2 ASN 14 -8.555 1.169 -1.219
78 HD22 ASN 14 2HD2 ASN 14 -9.027 -0.418 -1.714
79 H CYS 15 H CYS 15 -4.130 2.085 -0.845
80 HA CYS 15 HA CYS 15 -2.572 3.167 1.341
81 HB2 CYS 15 1HB CYS 15 -1.692 2.905 -1.006
82 HB3 CYS 15 2HB CYS 15 -2.776 4.204 -1.490
83 H ASN 16 H ASN 16 -3.587 4.445 2.748
84 HA ASN 16 HA ASN 16 -5.896 5.982 2.102
85 HB2 ASN 16 1HB ASN 16 -5.806 6.767 4.374
86 HB3 ASN 16 2HB ASN 16 -5.379 5.058 4.376
87 HD21 ASN 16 1HD2 ASN 16 -4.742 7.473 6.118
88 HD22 ASN 16 2HD2 ASN 16 -3.030 7.383 6.330
89 H GLU 17 H GLU 17 -2.509 6.556 1.928
90 HA GLU 17 HA GLU 17 -2.478 9.364 2.157
91 HB2 GLU 17 1HB GLU 17 -0.379 8.354 2.315
92 HB3 GLU 17 2HB GLU 17 -0.648 7.351 0.897
93 HG2 GLU 17 1HG GLU 17 0.933 8.962 0.258
94 HG3 GLU 17 2HG GLU 17 -0.592 9.473 -0.464
95 H CYS 18 H CYS 18 -2.169 7.429 -0.826
96 HA CYS 18 HA CYS 18 -3.123 9.710 -2.374
97 HB2 CYS 18 1HB CYS 18 -2.428 8.421 -4.334
98 HB3 CYS 18 2HB CYS 18 -1.123 8.513 -3.156
99 H GLY 19 H GLY 19 -3.940 6.291 -1.841
100 HA2 GLY 19 1HA GLY 19 -6.313 5.766 -1.507
101 HA3 GLY 19 2HA GLY 19 -6.668 6.917 -2.787
102 H LYS 20 H LYS 20 -4.671 4.003 -2.299
103 HA LYS 20 HA LYS 20 -5.718 2.989 -4.857
104 HB2 LYS 20 1HB LYS 20 -2.893 3.179 -3.900
105 HB3 LYS 20 2HB LYS 20 -3.351 1.815 -4.911
106 HG2 LYS 20 1HG LYS 20 -3.825 3.167 -6.739
107 HG3 LYS 20 2HG LYS 20 -3.981 4.618 -5.747
108 HD2 LYS 20 1HD LYS 20 -1.572 4.556 -5.293
109 HD3 LYS 20 2HD LYS 20 -1.422 3.111 -6.296
110 HE2 LYS 20 1HE LYS 20 -0.761 4.979 -7.621
111 HE3 LYS 20 2HE LYS 20 -2.338 4.446 -8.204
112 HZ1 LYS 20 3HZ LYS 20 -3.115 6.251 -6.455
113 HZ2 LYS 20 1HZ LYS 20 -2.735 6.655 -8.053
114 HZ3 LYS 20 2HZ LYS 20 -1.601 6.909 -6.825
115 H ALA 21 H ALA 21 -5.520 0.606 -5.069
116 HA ALA 21 HA ALA 21 -5.780 -0.716 -2.446
117 HB1 ALA 21 3HB ALA 21 -7.190 -2.249 -4.312
118 HB2 ALA 21 1HB ALA 21 -7.857 -1.246 -3.024
119 HB3 ALA 21 2HB ALA 21 -7.633 -0.573 -4.639
120 H PHE 22 H PHE 22 -4.335 -2.255 -2.074
121 HA PHE 22 HA PHE 22 -2.983 -3.497 -4.377
122 HB2 PHE 22 1HB PHE 22 -1.951 -3.132 -1.556
123 HB3 PHE 22 2HB PHE 22 -1.068 -3.874 -2.886
124 HD1 PHE 22 HD1 PHE 22 -2.955 -0.709 -2.268
125 HD2 PHE 22 HD2 PHE 22 0.532 -2.562 -3.856
126 HE1 PHE 22 HE1 PHE 22 -2.079 1.498 -2.910
127 HE2 PHE 22 HE2 PHE 22 1.414 -0.358 -4.500
128 HZ PHE 22 HZ PHE 22 0.109 1.676 -4.026
129 H THR 23 H THR 23 -2.473 -5.732 -4.267
130 HA THR 23 HA THR 23 -4.514 -7.285 -2.947
131 HB THR 23 HB THR 23 -2.186 -8.297 -4.588
132 HG1 THR 23 HG1 THR 23 -3.543 -6.791 -5.740
133 HG21 THR 23 3HG2 THR 23 -4.529 -9.534 -3.317
134 HG22 THR 23 1HG2 THR 23 -2.997 -10.252 -3.813
135 HG23 THR 23 2HG2 THR 23 -4.274 -9.991 -5.001
136 H ARG 24 H ARG 24 -0.984 -6.991 -2.770
137 HA ARG 24 HA ARG 24 -0.961 -8.757 -0.433
138 HB2 ARG 24 1HB ARG 24 1.315 -7.619 -2.067
139 HB3 ARG 24 2HB ARG 24 1.502 -8.707 -0.697
140 HG2 ARG 24 1HG ARG 24 -0.167 -9.498 -3.048
141 HG3 ARG 24 2HG ARG 24 1.589 -9.667 -3.086
142 HD2 ARG 24 1HD ARG 24 1.472 -11.018 -1.026
143 HD3 ARG 24 2HD ARG 24 -0.286 -10.891 -1.065
144 HE ARG 24 HE ARG 24 1.383 -12.554 -2.745
145 HH11 ARG 24 1HH1 ARG 24 -1.749 -11.115 -2.257
146 HH12 ARG 24 2HH1 ARG 24 -2.575 -12.254 -3.267
147 HH21 ARG 24 1HH2 ARG 24 0.308 -14.060 -4.078
148 HH22 ARG 24 2HH2 ARG 24 -1.404 -13.930 -4.302
149 H ILE 25 H ILE 25 0.808 -8.034 1.234
150 HA ILE 25 HA ILE 25 0.005 -5.375 2.127
151 HB ILE 25 HB ILE 25 -0.183 -7.168 3.755
152 HG12 ILE 25 1HG1 ILE 25 1.329 -6.188 5.551
153 HG13 ILE 25 2HG1 ILE 25 1.991 -5.143 4.298
154 HG21 ILE 25 1HG2 ILE 25 2.197 -8.080 2.625
155 HG22 ILE 25 2HG2 ILE 25 2.614 -7.626 4.276
156 HG23 ILE 25 3HG2 ILE 25 1.321 -8.789 3.982
157 HD11 ILE 25 3HD1 ILE 25 0.378 -3.847 5.362
158 HD12 ILE 25 1HD1 ILE 25 -0.417 -4.409 3.892
159 HD13 ILE 25 2HD1 ILE 25 -0.775 -5.178 5.439
160 H PHE 26 H PHE 26 2.795 -7.101 0.968
161 HA PHE 26 HA PHE 26 4.675 -5.065 1.765
162 HB2 PHE 26 1HB PHE 26 6.226 -6.439 0.239
163 HB3 PHE 26 2HB PHE 26 5.615 -7.218 1.695
164 HD1 PHE 26 HD2 PHE 26 5.450 -7.107 -1.956
165 HD2 PHE 26 HD1 PHE 26 4.021 -9.022 1.567
166 HE1 PHE 26 HE2 PHE 26 4.556 -8.947 -3.323
167 HE2 PHE 26 HE1 PHE 26 3.125 -10.866 0.205
168 HZ PHE 26 HZ PHE 26 3.391 -10.829 -2.243
169 H HIS 27 H HIS 27 2.868 -5.933 -1.105
170 HA HIS 27 HA HIS 27 4.269 -4.336 -2.959
171 HB2 HIS 27 1HB HIS 27 1.519 -5.530 -2.878
172 HB3 HIS 27 2HB HIS 27 1.948 -4.403 -4.162
173 HD2 HIS 27 HD2 HIS 27 4.940 -5.538 -4.851
174 HE1 HIS 27 HE1 HIS 27 2.949 -9.237 -5.443
175 HE2 HIS 27 HE2 HIS 27 5.075 -7.938 -5.807
176 H LEU 28 H LEU 28 2.250 -3.499 -0.371
177 HA LEU 28 HA LEU 28 1.390 -0.971 -1.517
178 HB2 LEU 28 1HB LEU 28 -0.268 -1.858 -0.174
179 HB3 LEU 28 2HB LEU 28 0.878 -2.431 1.036
180 HG LEU 28 HG LEU 28 1.218 -0.098 1.772
181 HD11 LEU 28 1HD1 LEU 28 0.670 1.528 0.360
182 HD12 LEU 28 2HD1 LEU 28 -1.014 1.217 0.782
183 HD13 LEU 28 3HD1 LEU 28 -0.300 0.437 -0.630
184 HD21 LEU 28 3HD2 LEU 28 -1.365 -1.525 1.906
185 HD22 LEU 28 1HD2 LEU 28 -1.363 0.155 2.443
186 HD23 LEU 28 2HD2 LEU 28 -0.279 -1.013 3.199
187 H THR 29 H THR 29 3.357 -2.045 1.252
188 HA THR 29 HA THR 29 4.233 0.437 2.121
189 HB THR 29 HB THR 29 4.635 -1.951 3.112
190 HG1 THR 29 HG1 THR 29 6.601 -0.989 4.167
191 HG21 THR 29 3HG2 THR 29 6.946 -2.736 2.763
192 HG22 THR 29 1HG2 THR 29 7.159 -1.513 1.511
193 HG23 THR 29 2HG2 THR 29 5.989 -2.813 1.284
194 H ARG 30 H ARG 30 5.637 -1.686 -0.348
195 HA ARG 30 HA ARG 30 7.922 -0.136 -0.879
196 HB2 ARG 30 1HB ARG 30 8.189 -1.455 -2.848
197 HB3 ARG 30 2HB ARG 30 7.520 -2.510 -1.611
198 HG2 ARG 30 1HG ARG 30 5.506 -2.710 -2.670
199 HG3 ARG 30 2HG ARG 30 5.645 -1.142 -3.466
200 HD2 ARG 30 1HD ARG 30 5.846 -3.016 -5.047
201 HD3 ARG 30 2HD ARG 30 7.304 -2.027 -4.990
202 HE ARG 30 HE ARG 30 7.829 -4.001 -3.218
203 HH11 ARG 30 1HH1 ARG 30 6.752 -3.982 -6.529
204 HH12 ARG 30 2HH1 ARG 30 7.507 -5.491 -6.920
205 HH21 ARG 30 1HH2 ARG 30 8.828 -5.989 -3.721
206 HH22 ARG 30 2HH2 ARG 30 8.686 -6.632 -5.322
207 H HIS 31 H HIS 31 4.619 0.312 -1.703
208 HA HIS 31 HA HIS 31 5.144 2.071 -3.939
209 HB2 HIS 31 1HB HIS 31 3.127 1.021 -4.288
210 HB3 HIS 31 2HB HIS 31 2.712 1.011 -2.577
211 HD1 HIS 31 HD1 HIS 31 2.820 3.376 -5.530
212 HD2 HIS 31 HD2 HIS 31 1.061 3.041 -1.780
213 HE1 HIS 31 HE1 HIS 31 1.166 5.265 -5.392
214 H GLN 32 H GLN 32 3.652 2.461 -0.721
215 HA GLN 32 HA GLN 32 3.221 5.117 -0.600
216 HB2 GLN 32 1HB GLN 32 4.345 3.270 1.489
217 HB3 GLN 32 2HB GLN 32 4.011 4.958 1.849
218 HG2 GLN 32 1HG GLN 32 1.684 4.664 1.352
219 HG3 GLN 32 2HG GLN 32 1.971 3.017 0.793
220 HE21 GLN 32 1HE2 GLN 32 0.158 3.839 2.837
221 HE22 GLN 32 2HE2 GLN 32 0.665 3.086 4.307
222 H LYS 33 H LYS 33 6.310 3.577 -0.814
223 HA LYS 33 HA LYS 33 8.052 5.443 0.197
224 HB2 LYS 33 1HB LYS 33 8.288 3.699 -2.253
225 HB3 LYS 33 2HB LYS 33 9.622 4.674 -1.650
226 HG2 LYS 33 1HG LYS 33 9.204 3.453 0.585
227 HG3 LYS 33 2HG LYS 33 8.313 2.293 -0.404
228 HD2 LYS 33 1HD LYS 33 11.131 3.137 -1.035
229 HD3 LYS 33 2HD LYS 33 10.760 1.774 0.023
230 HE2 LYS 33 1HE LYS 33 9.434 0.775 -1.823
231 HE3 LYS 33 2HE LYS 33 9.961 2.094 -2.868
232 HZ1 LYS 33 3HZ LYS 33 11.660 0.015 -1.609
233 HZ2 LYS 33 1HZ LYS 33 12.281 1.380 -2.392
234 HZ3 LYS 33 2HZ LYS 33 11.374 0.246 -3.260
235 H ILE 34 H ILE 34 6.736 5.360 -3.113
236 HA ILE 34 HA ILE 34 7.941 7.550 -4.209
237 HB ILE 34 HB ILE 34 6.047 7.807 -5.677
238 HG12 ILE 34 1HG1 ILE 34 4.411 5.827 -4.157
239 HG13 ILE 34 2HG1 ILE 34 4.443 7.491 -3.585
240 HG21 ILE 34 1HG2 ILE 34 5.605 5.131 -5.913
241 HG22 ILE 34 2HG2 ILE 34 7.011 5.982 -6.551
242 HG23 ILE 34 3HG2 ILE 34 7.107 5.165 -4.991
243 HD11 ILE 34 3HD1 ILE 34 3.265 8.265 -5.354
244 HD12 ILE 34 1HD1 ILE 34 3.918 7.059 -6.462
245 HD13 ILE 34 2HD1 ILE 34 2.649 6.613 -5.322
246 H HIS 35 H HIS 35 5.573 7.499 -1.686
247 HA HIS 35 HA HIS 35 4.884 10.291 -1.931
248 HB2 HIS 35 1HB HIS 35 4.309 8.351 0.319
249 HB3 HIS 35 2HB HIS 35 3.567 9.934 0.099
250 HD1 HIS 35 HD1 HIS 35 2.905 9.725 -2.919
251 HD2 HIS 35 HD2 HIS 35 2.149 6.744 -0.125
252 HE1 HIS 35 HE1 HIS 35 1.055 8.335 -3.903
253 H THR 36 H THR 36 6.812 11.420 -1.726
254 HA THR 36 HA THR 36 8.017 11.349 0.964
255 HB THR 36 HB THR 36 10.142 12.142 -0.134
256 HG1 THR 36 HG1 THR 36 8.741 12.507 -2.203
257 HG21 THR 36 3HG2 THR 36 9.039 9.417 -0.802
258 HG22 THR 36 1HG2 THR 36 10.036 9.869 0.581
259 HG23 THR 36 2HG2 THR 36 10.728 9.867 -1.041
260 H ARG 37 H ARG 37 6.568 13.206 -1.517
261 HA ARG 37 HA ARG 37 7.120 15.668 0.003
262 HB2 ARG 37 1HB ARG 37 8.222 15.443 -2.318
263 HB3 ARG 37 2HB ARG 37 6.598 15.656 -2.958
264 HG2 ARG 37 1HG ARG 37 7.354 17.808 -3.001
265 HG3 ARG 37 2HG ARG 37 6.600 17.768 -1.406
266 HD2 ARG 37 1HD ARG 37 8.673 18.777 -1.032
267 HD3 ARG 37 2HD ARG 37 8.913 17.101 -0.537
268 HE ARG 37 HE ARG 37 10.484 16.911 -2.174
269 HH11 ARG 37 1HH1 ARG 37 8.390 19.579 -2.958
270 HH12 ARG 37 2HH1 ARG 37 9.309 20.063 -4.345
271 HH21 ARG 37 1HH2 ARG 37 11.702 17.537 -3.998
272 HH22 ARG 37 2HH2 ARG 37 11.192 18.900 -4.936
273 H LYS 38 H LYS 38 5.414 17.009 0.411
274 HA LYS 38 HA LYS 38 2.766 16.031 -0.436
275 HB2 LYS 38 1HB LYS 38 1.879 17.030 1.622
276 HB3 LYS 38 2HB LYS 38 3.119 15.833 1.972
277 HG2 LYS 38 1HG LYS 38 4.672 17.979 1.944
278 HG3 LYS 38 2HG LYS 38 3.150 18.772 2.357
279 HD2 LYS 38 1HD LYS 38 2.988 16.801 4.100
280 HD3 LYS 38 2HD LYS 38 4.742 16.780 3.900
281 HE2 LYS 38 1HE LYS 38 4.472 18.251 5.661
282 HE3 LYS 38 2HE LYS 38 4.554 19.342 4.280
283 HZ1 LYS 38 3HZ LYS 38 2.044 18.390 5.551
284 HZ2 LYS 38 1HZ LYS 38 2.160 19.494 4.274
285 HZ3 LYS 38 2HZ LYS 38 2.748 19.907 5.805
286 H SER 39 H SER 39 4.636 18.956 0.304
287 HA SER 39 HA SER 39 3.371 20.373 -1.855
288 HB2 SER 39 1HB SER 39 1.703 20.632 -0.032
289 HB3 SER 39 2HB SER 39 2.947 21.381 0.969
290 HG SER 39 HG SER 39 3.134 22.852 -0.991
291 H GLY 40 H GLY 40 4.595 22.070 -2.576
292 HA2 GLY 40 1HA GLY 40 6.524 23.280 -2.886
293 HA3 GLY 40 2HA GLY 40 6.407 23.606 -1.163
294 HA PRO 41 HA PRO 41 10.350 21.284 -2.000
295 HB2 PRO 41 1HB PRO 41 11.941 22.993 -0.615
296 HB3 PRO 41 2HB PRO 41 11.541 23.222 -2.322
297 HG2 PRO 41 1HG PRO 41 10.339 24.517 0.095
298 HG3 PRO 41 2HG PRO 41 10.795 25.247 -1.455
299 HD2 PRO 41 1HD PRO 41 8.237 24.600 -0.845
300 HD3 PRO 41 2HD PRO 41 8.870 24.529 -2.502
301 H SER 42 H SER 42 11.055 19.732 -0.654
302 HA SER 42 HA SER 42 9.884 18.937 1.626
303 HB2 SER 42 1HB SER 42 12.853 18.750 1.061
304 HB3 SER 42 2HB SER 42 11.978 17.767 2.234
305 HG SER 42 HG SER 42 11.087 17.837 -0.423
306 H SER 43 H SER 43 9.366 20.090 3.363
307 HA SER 43 HA SER 43 11.502 21.528 4.767
308 HB2 SER 43 1HB SER 43 10.094 23.127 3.400
309 HB3 SER 43 2HB SER 43 8.730 22.685 4.427
310 HG SER 43 HG SER 43 9.469 24.201 5.678
311 H GLY 44 H GLY 44 11.683 20.419 6.608
312 HA2 GLY 44 1HA GLY 44 10.195 20.491 8.784
313 HA3 GLY 44 2HA GLY 44 9.296 19.292 7.866
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -22.495 -24.728 15.029
2 HA2 GLY 1 1HA GLY 1 -22.248 -24.545 12.650
3 HA3 GLY 1 2HA GLY 1 -23.704 -25.494 12.910
4 H SER 2 H SER 2 -25.766 -24.341 12.915
5 HA SER 2 HA SER 2 -25.951 -22.572 10.703
6 HB2 SER 2 1HB SER 2 -27.945 -23.548 12.743
7 HB3 SER 2 2HB SER 2 -28.389 -22.387 11.491
8 HG SER 2 HG SER 2 -28.076 -25.060 11.305
9 H SER 3 H SER 3 -25.293 -20.530 10.783
10 HA SER 3 HA SER 3 -25.700 -18.997 13.256
11 HB2 SER 3 1HB SER 3 -23.732 -18.814 11.008
12 HB3 SER 3 2HB SER 3 -24.122 -17.356 11.920
13 HG SER 3 HG SER 3 -22.546 -18.171 13.115
14 H GLY 4 H GLY 4 -26.057 -18.738 9.726
15 HA2 GLY 4 1HA GLY 4 -28.372 -17.892 9.120
16 HA3 GLY 4 2HA GLY 4 -27.978 -16.541 10.173
17 H SER 5 H SER 5 -26.082 -15.228 9.568
18 HA SER 5 HA SER 5 -26.170 -14.652 6.743
19 HB2 SER 5 1HB SER 5 -26.066 -12.950 8.693
20 HB3 SER 5 2HB SER 5 -24.338 -13.301 8.713
21 HG SER 5 HG SER 5 -25.871 -12.248 6.574
22 H SER 6 H SER 6 -24.020 -14.093 5.645
23 HA SER 6 HA SER 6 -22.347 -16.464 5.799
24 HB2 SER 6 1HB SER 6 -23.099 -15.719 3.595
25 HB3 SER 6 2HB SER 6 -22.335 -14.149 3.845
26 HG SER 6 HG SER 6 -21.024 -15.561 2.606
27 H GLY 7 H GLY 7 -21.982 -12.940 6.037
28 HA2 GLY 7 1HA GLY 7 -20.397 -11.665 7.105
29 HA3 GLY 7 2HA GLY 7 -19.946 -13.113 7.993
30 H THR 8 H THR 8 -18.987 -10.871 5.677
31 HA THR 8 HA THR 8 -16.665 -12.542 4.986
32 HB THR 8 HB THR 8 -16.608 -11.430 2.752
33 HG1 THR 8 HG1 THR 8 -19.197 -10.531 3.543
34 HG21 THR 8 3HG2 THR 8 -17.849 -13.083 1.823
35 HG22 THR 8 1HG2 THR 8 -19.269 -12.712 2.799
36 HG23 THR 8 2HG2 THR 8 -17.946 -13.651 3.489
37 H ASP 9 H ASP 9 -14.694 -11.529 4.962
38 HA ASP 9 HA ASP 9 -14.680 -8.703 5.801
39 HB2 ASP 9 1HB ASP 9 -12.515 -9.232 6.934
40 HB3 ASP 9 2HB ASP 9 -13.899 -10.084 7.614
41 H SER 10 H SER 10 -13.150 -7.322 4.909
42 HA SER 10 HA SER 10 -11.648 -8.390 2.610
43 HB2 SER 10 1HB SER 10 -13.778 -6.927 2.162
44 HB3 SER 10 2HB SER 10 -12.716 -5.588 2.596
45 HG SER 10 HG SER 10 -12.413 -5.798 0.461
46 H LYS 11 H LYS 11 -9.739 -8.515 3.806
47 HA LYS 11 HA LYS 11 -8.715 -6.221 5.210
48 HB2 LYS 11 1HB LYS 11 -6.990 -7.593 5.925
49 HB3 LYS 11 2HB LYS 11 -8.291 -8.750 5.678
50 HG2 LYS 11 1HG LYS 11 -7.361 -9.478 3.614
51 HG3 LYS 11 2HG LYS 11 -6.183 -8.163 3.615
52 HD2 LYS 11 1HD LYS 11 -4.985 -10.063 4.314
53 HD3 LYS 11 2HD LYS 11 -5.315 -9.160 5.794
54 HE2 LYS 11 1HE LYS 11 -5.889 -11.285 6.445
55 HE3 LYS 11 2HE LYS 11 -7.446 -10.679 5.882
56 HZ1 LYS 11 3HZ LYS 11 -5.956 -11.854 3.760
57 HZ2 LYS 11 1HZ LYS 11 -7.514 -12.220 4.307
58 HZ3 LYS 11 2HZ LYS 11 -6.171 -12.951 5.029
59 H SER 12 H SER 12 -9.104 -6.676 2.060
60 HA SER 12 HA SER 12 -6.826 -6.439 0.646
61 HB2 SER 12 1HB SER 12 -8.039 -4.878 -0.887
62 HB3 SER 12 2HB SER 12 -8.982 -6.301 -0.444
63 HG SER 12 HG SER 12 -10.378 -4.698 -0.093
64 H TYR 13 H TYR 13 -5.038 -5.446 1.375
65 HA TYR 13 HA TYR 13 -4.973 -3.066 2.867
66 HB2 TYR 13 1HB TYR 13 -2.695 -3.965 1.121
67 HB3 TYR 13 2HB TYR 13 -2.632 -3.175 2.693
68 HD1 TYR 13 HD2 TYR 13 -3.305 -4.489 4.738
69 HD2 TYR 13 HD1 TYR 13 -2.712 -6.318 0.943
70 HE1 TYR 13 HE2 TYR 13 -3.080 -6.679 5.835
71 HE2 TYR 13 HE1 TYR 13 -2.487 -8.513 2.029
72 HH TYR 13 HH TYR 13 -1.857 -8.960 5.158
73 H ASN 14 H ASN 14 -5.512 -1.099 2.222
74 HA ASN 14 HA ASN 14 -4.892 -0.306 -0.548
75 HB2 ASN 14 1HB ASN 14 -7.257 0.603 1.108
76 HB3 ASN 14 2HB ASN 14 -6.895 1.097 -0.543
77 HD21 ASN 14 1HD2 ASN 14 -9.251 0.211 -0.459
78 HD22 ASN 14 2HD2 ASN 14 -9.417 -1.435 -0.956
79 H CYS 15 H CYS 15 -3.942 1.656 -0.861
80 HA CYS 15 HA CYS 15 -2.636 2.861 1.373
81 HB2 CYS 15 1HB CYS 15 -1.495 2.783 -0.752
82 HB3 CYS 15 2HB CYS 15 -2.803 3.664 -1.536
83 H ASN 16 H ASN 16 -2.923 4.904 2.257
84 HA ASN 16 HA ASN 16 -5.602 6.031 1.857
85 HB2 ASN 16 1HB ASN 16 -3.713 6.685 4.116
86 HB3 ASN 16 2HB ASN 16 -5.456 6.926 4.052
87 HD21 ASN 16 1HD2 ASN 16 -6.829 5.168 4.337
88 HD22 ASN 16 2HD2 ASN 16 -6.280 3.682 5.028
89 H GLU 17 H GLU 17 -2.194 6.805 1.731
90 HA GLU 17 HA GLU 17 -2.212 9.556 1.673
91 HB2 GLU 17 1HB GLU 17 -0.502 7.480 0.384
92 HB3 GLU 17 2HB GLU 17 -0.299 9.152 -0.118
93 HG2 GLU 17 1HG GLU 17 1.285 8.770 1.578
94 HG3 GLU 17 2HG GLU 17 0.001 9.732 2.309
95 H CYS 18 H CYS 18 -2.338 7.467 -1.219
96 HA CYS 18 HA CYS 18 -3.502 9.703 -2.714
97 HB2 CYS 18 1HB CYS 18 -3.021 8.272 -4.716
98 HB3 CYS 18 2HB CYS 18 -1.592 8.725 -3.793
99 H GLY 19 H GLY 19 -4.046 6.246 -2.074
100 HA2 GLY 19 1HA GLY 19 -6.345 5.609 -1.465
101 HA3 GLY 19 2HA GLY 19 -6.892 6.694 -2.734
102 H LYS 20 H LYS 20 -4.458 4.093 -2.569
103 HA LYS 20 HA LYS 20 -5.660 2.960 -5.005
104 HB2 LYS 20 1HB LYS 20 -2.854 2.996 -3.945
105 HB3 LYS 20 2HB LYS 20 -3.356 1.736 -5.064
106 HG2 LYS 20 1HG LYS 20 -4.090 3.567 -6.626
107 HG3 LYS 20 2HG LYS 20 -3.283 4.702 -5.541
108 HD2 LYS 20 1HD LYS 20 -1.168 3.550 -5.876
109 HD3 LYS 20 2HD LYS 20 -1.962 2.352 -6.902
110 HE2 LYS 20 1HE LYS 20 -0.877 3.931 -8.327
111 HE3 LYS 20 2HE LYS 20 -2.613 4.213 -8.435
112 HZ1 LYS 20 3HZ LYS 20 -0.840 5.763 -6.636
113 HZ2 LYS 20 1HZ LYS 20 -2.437 6.114 -7.073
114 HZ3 LYS 20 2HZ LYS 20 -1.198 6.249 -8.217
115 H ALA 21 H ALA 21 -5.242 0.510 -5.177
116 HA ALA 21 HA ALA 21 -5.665 -0.780 -2.566
117 HB1 ALA 21 3HB ALA 21 -7.799 -0.412 -3.897
118 HB2 ALA 21 1HB ALA 21 -7.170 -1.607 -5.032
119 HB3 ALA 21 2HB ALA 21 -7.474 -2.059 -3.354
120 H PHE 22 H PHE 22 -4.371 -2.462 -2.217
121 HA PHE 22 HA PHE 22 -3.143 -3.791 -4.542
122 HB2 PHE 22 1HB PHE 22 -1.801 -3.333 -1.872
123 HB3 PHE 22 2HB PHE 22 -1.072 -4.014 -3.322
124 HD1 PHE 22 HD2 PHE 22 -0.842 -2.525 -5.358
125 HD2 PHE 22 HD1 PHE 22 -1.778 -1.034 -1.483
126 HE1 PHE 22 HE2 PHE 22 -0.124 -0.277 -6.054
127 HE2 PHE 22 HE1 PHE 22 -1.063 1.217 -2.173
128 HZ PHE 22 HZ PHE 22 -0.233 1.597 -4.460
129 H THR 23 H THR 23 -2.981 -5.995 -4.494
130 HA THR 23 HA THR 23 -4.701 -7.363 -2.628
131 HB THR 23 HB THR 23 -4.889 -8.204 -4.807
132 HG1 THR 23 HG1 THR 23 -4.802 -9.984 -3.522
133 HG21 THR 23 3HG2 THR 23 -2.645 -9.156 -5.864
134 HG22 THR 23 1HG2 THR 23 -1.933 -7.889 -4.867
135 HG23 THR 23 2HG2 THR 23 -3.139 -7.478 -6.087
136 H ARG 24 H ARG 24 -1.270 -6.967 -3.137
137 HA ARG 24 HA ARG 24 -0.620 -9.031 -1.188
138 HB2 ARG 24 1HB ARG 24 0.920 -7.404 -3.154
139 HB3 ARG 24 2HB ARG 24 1.771 -8.010 -1.739
140 HG2 ARG 24 1HG ARG 24 2.104 -9.595 -3.450
141 HG3 ARG 24 2HG ARG 24 0.920 -10.300 -2.347
142 HD2 ARG 24 1HD ARG 24 -0.079 -8.714 -4.654
143 HD3 ARG 24 2HD ARG 24 0.577 -10.319 -4.974
144 HE ARG 24 HE ARG 24 -1.912 -9.694 -3.700
145 HH11 ARG 24 1HH1 ARG 24 0.635 -12.053 -3.955
146 HH12 ARG 24 2HH1 ARG 24 -0.368 -13.380 -3.469
147 HH21 ARG 24 1HH2 ARG 24 -3.243 -11.433 -3.059
148 HH22 ARG 24 2HH2 ARG 24 -2.573 -13.026 -2.961
149 H ILE 25 H ILE 25 1.271 -8.318 0.353
150 HA ILE 25 HA ILE 25 0.266 -5.986 1.820
151 HB ILE 25 HB ILE 25 0.357 -8.124 3.045
152 HG12 ILE 25 1HG1 ILE 25 1.779 -7.253 4.982
153 HG13 ILE 25 2HG1 ILE 25 2.174 -5.889 3.941
154 HG21 ILE 25 1HG2 ILE 25 3.338 -7.983 3.071
155 HG22 ILE 25 2HG2 ILE 25 2.275 -9.352 3.390
156 HG23 ILE 25 3HG2 ILE 25 2.512 -8.787 1.736
157 HD11 ILE 25 3HD1 ILE 25 0.209 -4.909 4.302
158 HD12 ILE 25 1HD1 ILE 25 -0.684 -6.419 4.125
159 HD13 ILE 25 2HD1 ILE 25 0.069 -6.014 5.668
160 H PHE 26 H PHE 26 3.232 -7.405 0.531
161 HA PHE 26 HA PHE 26 4.923 -5.292 1.453
162 HB2 PHE 26 1HB PHE 26 6.628 -6.332 -0.008
163 HB3 PHE 26 2HB PHE 26 5.845 -7.507 1.044
164 HD1 PHE 26 HD2 PHE 26 6.200 -6.320 -2.402
165 HD2 PHE 26 HD1 PHE 26 4.438 -9.235 0.150
166 HE1 PHE 26 HE2 PHE 26 5.637 -7.692 -4.365
167 HE2 PHE 26 HE1 PHE 26 3.873 -10.612 -1.809
168 HZ PHE 26 HZ PHE 26 4.471 -9.841 -4.070
169 H HIS 27 H HIS 27 3.229 -6.020 -1.546
170 HA HIS 27 HA HIS 27 4.408 -4.138 -3.223
171 HB2 HIS 27 1HB HIS 27 1.767 -5.515 -3.142
172 HB3 HIS 27 2HB HIS 27 1.940 -4.136 -4.224
173 HD2 HIS 27 HD2 HIS 27 4.491 -4.558 -5.870
174 HE1 HIS 27 HE1 HIS 27 3.555 -8.687 -6.137
175 HE2 HIS 27 HE2 HIS 27 4.989 -6.817 -7.027
176 H LEU 28 H LEU 28 2.072 -3.741 -0.673
177 HA LEU 28 HA LEU 28 1.331 -1.065 -1.443
178 HB2 LEU 28 1HB LEU 28 -0.366 -2.181 -0.319
179 HB3 LEU 28 2HB LEU 28 0.737 -2.849 0.882
180 HG LEU 28 HG LEU 28 0.929 -0.652 1.935
181 HD11 LEU 28 1HD1 LEU 28 -1.322 0.502 0.442
182 HD12 LEU 28 2HD1 LEU 28 0.192 0.383 -0.453
183 HD13 LEU 28 3HD1 LEU 28 0.137 1.265 1.073
184 HD21 LEU 28 3HD2 LEU 28 -1.878 -1.663 1.513
185 HD22 LEU 28 1HD2 LEU 28 -1.429 -0.473 2.734
186 HD23 LEU 28 2HD2 LEU 28 -0.759 -2.103 2.804
187 H THR 29 H THR 29 3.459 -2.568 0.939
188 HA THR 29 HA THR 29 4.169 -0.213 2.317
189 HB THR 29 HB THR 29 5.868 -2.689 1.968
190 HG1 THR 29 HG1 THR 29 4.828 -3.292 3.984
191 HG21 THR 29 3HG2 THR 29 6.411 -0.255 3.235
192 HG22 THR 29 1HG2 THR 29 7.299 -1.768 3.411
193 HG23 THR 29 2HG2 THR 29 5.996 -1.374 4.533
194 H ARG 30 H ARG 30 5.541 -1.821 -0.512
195 HA ARG 30 HA ARG 30 7.797 -0.081 -0.717
196 HB2 ARG 30 1HB ARG 30 8.351 -1.254 -2.659
197 HB3 ARG 30 2HB ARG 30 7.502 -2.451 -1.691
198 HG2 ARG 30 1HG ARG 30 5.431 -1.895 -2.986
199 HG3 ARG 30 2HG ARG 30 6.444 -0.915 -4.047
200 HD2 ARG 30 1HD ARG 30 7.269 -3.720 -3.512
201 HD3 ARG 30 2HD ARG 30 5.895 -3.448 -4.583
202 HE ARG 30 HE ARG 30 7.764 -1.782 -5.580
203 HH11 ARG 30 1HH1 ARG 30 7.810 -5.160 -4.736
204 HH12 ARG 30 2HH1 ARG 30 8.989 -5.577 -5.935
205 HH21 ARG 30 1HH2 ARG 30 9.317 -2.320 -7.163
206 HH22 ARG 30 2HH2 ARG 30 9.846 -3.961 -7.314
207 H HIS 31 H HIS 31 4.503 0.202 -1.537
208 HA HIS 31 HA HIS 31 4.885 2.118 -3.666
209 HB2 HIS 31 1HB HIS 31 2.916 0.980 -4.028
210 HB3 HIS 31 2HB HIS 31 2.541 0.865 -2.311
211 HD1 HIS 31 HD1 HIS 31 2.179 3.127 -5.265
212 HD2 HIS 31 HD2 HIS 31 1.100 3.018 -1.255
213 HE1 HIS 31 HE1 HIS 31 0.512 4.986 -4.966
214 H GLN 32 H GLN 32 3.436 2.253 -0.408
215 HA GLN 32 HA GLN 32 2.876 4.866 -0.117
216 HB2 GLN 32 1HB GLN 32 4.257 3.070 1.877
217 HB3 GLN 32 2HB GLN 32 3.610 4.653 2.287
218 HG2 GLN 32 1HG GLN 32 1.421 3.649 1.214
219 HG3 GLN 32 2HG GLN 32 2.191 2.126 1.652
220 HE21 GLN 32 1HE2 GLN 32 2.674 1.736 3.859
221 HE22 GLN 32 2HE2 GLN 32 1.796 2.540 5.111
222 H LYS 33 H LYS 33 6.042 3.514 -0.481
223 HA LYS 33 HA LYS 33 7.691 5.445 0.578
224 HB2 LYS 33 1HB LYS 33 7.961 3.724 -1.876
225 HB3 LYS 33 2HB LYS 33 9.236 4.837 -1.395
226 HG2 LYS 33 1HG LYS 33 9.058 3.644 0.902
227 HG3 LYS 33 2HG LYS 33 8.262 2.370 -0.025
228 HD2 LYS 33 1HD LYS 33 10.270 2.453 -1.579
229 HD3 LYS 33 2HD LYS 33 11.055 3.445 -0.348
230 HE2 LYS 33 1HE LYS 33 9.876 0.733 0.218
231 HE3 LYS 33 2HE LYS 33 11.556 0.973 -0.259
232 HZ1 LYS 33 3HZ LYS 33 12.094 1.643 1.779
233 HZ2 LYS 33 1HZ LYS 33 10.596 1.040 2.284
234 HZ3 LYS 33 2HZ LYS 33 10.762 2.679 1.901
235 H ILE 34 H ILE 34 6.152 5.426 -2.621
236 HA ILE 34 HA ILE 34 7.262 7.693 -3.719
237 HB ILE 34 HB ILE 34 5.300 7.902 -5.104
238 HG12 ILE 34 1HG1 ILE 34 3.824 5.796 -3.589
239 HG13 ILE 34 2HG1 ILE 34 3.798 7.442 -2.963
240 HG21 ILE 34 1HG2 ILE 34 4.972 5.297 -5.547
241 HG22 ILE 34 2HG2 ILE 34 6.447 6.156 -5.990
242 HG23 ILE 34 3HG2 ILE 34 6.388 5.216 -4.499
243 HD11 ILE 34 3HD1 ILE 34 3.237 7.726 -5.660
244 HD12 ILE 34 1HD1 ILE 34 2.351 6.281 -5.171
245 HD13 ILE 34 2HD1 ILE 34 2.090 7.806 -4.323
246 H HIS 35 H HIS 35 5.218 7.468 -0.994
247 HA HIS 35 HA HIS 35 4.419 10.275 -1.144
248 HB2 HIS 35 1HB HIS 35 3.708 8.130 0.867
249 HB3 HIS 35 2HB HIS 35 3.063 9.768 0.860
250 HD1 HIS 35 HD1 HIS 35 2.176 10.210 -1.934
251 HD2 HIS 35 HD2 HIS 35 1.740 6.533 -0.050
252 HE1 HIS 35 HE1 HIS 35 0.336 9.031 -3.178
253 H THR 36 H THR 36 5.925 8.109 1.259
254 HA THR 36 HA THR 36 7.152 8.662 3.142
255 HB THR 36 HB THR 36 9.276 10.018 2.297
256 HG1 THR 36 HG1 THR 36 7.912 9.210 -0.061
257 HG21 THR 36 3HG2 THR 36 8.489 7.258 2.334
258 HG22 THR 36 1HG2 THR 36 10.079 7.964 2.618
259 HG23 THR 36 2HG2 THR 36 9.578 7.550 0.979
260 H ARG 37 H ARG 37 5.006 10.491 2.834
261 HA ARG 37 HA ARG 37 5.960 13.176 3.107
262 HB2 ARG 37 1HB ARG 37 3.732 12.757 2.233
263 HB3 ARG 37 2HB ARG 37 3.270 11.944 3.722
264 HG2 ARG 37 1HG ARG 37 2.318 14.039 3.946
265 HG3 ARG 37 2HG ARG 37 3.819 14.187 4.861
266 HD2 ARG 37 1HD ARG 37 4.880 15.358 3.080
267 HD3 ARG 37 2HD ARG 37 3.552 15.003 1.976
268 HE ARG 37 HE ARG 37 2.332 16.398 3.926
269 HH11 ARG 37 1HH1 ARG 37 5.209 16.989 2.058
270 HH12 ARG 37 2HH1 ARG 37 5.053 18.714 2.119
271 HH21 ARG 37 1HH2 ARG 37 2.114 18.667 4.014
272 HH22 ARG 37 2HH2 ARG 37 3.292 19.667 3.233
273 H LYS 38 H LYS 38 7.539 12.874 4.787
274 HA LYS 38 HA LYS 38 6.328 12.741 7.471
275 HB2 LYS 38 1HB LYS 38 8.989 11.690 6.515
276 HB3 LYS 38 2HB LYS 38 8.619 11.925 8.218
277 HG2 LYS 38 1HG LYS 38 8.113 9.709 7.954
278 HG3 LYS 38 2HG LYS 38 6.536 10.450 7.674
279 HD2 LYS 38 1HD LYS 38 7.009 10.387 5.232
280 HD3 LYS 38 2HD LYS 38 8.497 9.506 5.584
281 HE2 LYS 38 1HE LYS 38 6.803 7.922 4.978
282 HE3 LYS 38 2HE LYS 38 7.124 7.760 6.704
283 HZ1 LYS 38 3HZ LYS 38 4.961 9.544 5.853
284 HZ2 LYS 38 1HZ LYS 38 5.100 8.611 7.257
285 HZ3 LYS 38 2HZ LYS 38 4.692 7.875 5.790
286 H SER 39 H SER 39 6.441 14.597 8.532
287 HA SER 39 HA SER 39 7.478 16.953 7.711
288 HB2 SER 39 1HB SER 39 7.351 17.744 9.970
289 HB3 SER 39 2HB SER 39 6.071 16.546 9.773
290 HG SER 39 HG SER 39 8.581 16.217 11.048
291 H GLY 40 H GLY 40 9.442 17.545 7.094
292 HA2 GLY 40 1HA GLY 40 11.704 17.689 8.594
293 HA3 GLY 40 2HA GLY 40 11.780 16.071 7.913
294 HA PRO 41 HA PRO 41 13.073 19.586 4.872
295 HB2 PRO 41 1HB PRO 41 15.696 19.910 5.492
296 HB3 PRO 41 2HB PRO 41 14.412 20.892 6.206
297 HG2 PRO 41 1HG PRO 41 15.829 18.511 7.340
298 HG3 PRO 41 2HG PRO 41 15.387 20.034 8.135
299 HD2 PRO 41 1HD PRO 41 13.946 17.761 8.437
300 HD3 PRO 41 2HD PRO 41 13.203 19.373 8.465
301 H SER 42 H SER 42 14.288 16.570 5.994
302 HA SER 42 HA SER 42 16.167 16.030 3.951
303 HB2 SER 42 1HB SER 42 16.079 13.738 4.699
304 HB3 SER 42 2HB SER 42 15.986 14.780 6.118
305 HG SER 42 HG SER 42 13.923 14.242 6.407
306 H SER 43 H SER 43 15.944 15.289 1.925
307 HA SER 43 HA SER 43 14.808 15.138 -0.087
308 HB2 SER 43 1HB SER 43 13.790 12.804 1.547
309 HB3 SER 43 2HB SER 43 13.567 12.951 -0.196
310 HG SER 43 HG SER 43 15.433 11.956 -0.215
311 H GLY 44 H GLY 44 13.559 17.118 1.289
312 HA2 GLY 44 1HA GLY 44 11.525 18.151 1.709
313 HA3 GLY 44 2HA GLY 44 11.192 17.556 0.089
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -27.820 -8.775 24.829
2 HA2 GLY 1 1HA GLY 1 -29.168 -7.823 22.852
3 HA3 GLY 1 2HA GLY 1 -28.353 -6.326 23.283
4 H SER 2 H SER 2 -27.685 -6.564 20.965
5 HA SER 2 HA SER 2 -24.985 -7.485 20.866
6 HB2 SER 2 1HB SER 2 -26.433 -9.585 20.479
7 HB3 SER 2 2HB SER 2 -26.818 -8.867 18.915
8 HG SER 2 HG SER 2 -25.033 -9.844 18.351
9 H SER 3 H SER 3 -23.897 -6.175 19.552
10 HA SER 3 HA SER 3 -25.192 -5.064 17.185
11 HB2 SER 3 1HB SER 3 -24.364 -2.762 17.803
12 HB3 SER 3 2HB SER 3 -25.689 -3.361 18.801
13 HG SER 3 HG SER 3 -24.105 -2.491 20.129
14 H GLY 4 H GLY 4 -23.823 -4.788 15.504
15 HA2 GLY 4 1HA GLY 4 -21.569 -4.125 14.753
16 HA3 GLY 4 2HA GLY 4 -20.938 -5.112 16.063
17 H SER 5 H SER 5 -20.704 -7.294 15.787
18 HA SER 5 HA SER 5 -20.394 -9.248 14.664
19 HB2 SER 5 1HB SER 5 -22.883 -9.216 14.649
20 HB3 SER 5 2HB SER 5 -22.836 -8.395 13.089
21 HG SER 5 HG SER 5 -21.430 -10.341 12.526
22 H SER 6 H SER 6 -18.861 -7.100 13.794
23 HA SER 6 HA SER 6 -18.925 -6.878 10.939
24 HB2 SER 6 1HB SER 6 -17.006 -5.980 13.075
25 HB3 SER 6 2HB SER 6 -16.591 -5.835 11.367
26 HG SER 6 HG SER 6 -17.606 -3.946 12.211
27 H GLY 7 H GLY 7 -18.744 -8.908 10.035
28 HA2 GLY 7 1HA GLY 7 -16.390 -10.517 10.730
29 HA3 GLY 7 2HA GLY 7 -17.777 -11.067 9.800
30 H THR 8 H THR 8 -14.769 -9.293 9.702
31 HA THR 8 HA THR 8 -14.923 -8.628 6.925
32 HB THR 8 HB THR 8 -12.443 -8.777 8.646
33 HG1 THR 8 HG1 THR 8 -14.470 -6.830 8.401
34 HG21 THR 8 3HG2 THR 8 -12.573 -6.713 6.611
35 HG22 THR 8 1HG2 THR 8 -12.723 -8.328 5.920
36 HG23 THR 8 2HG2 THR 8 -11.323 -7.919 6.911
37 H ASP 9 H ASP 9 -14.375 -9.804 5.199
38 HA ASP 9 HA ASP 9 -12.871 -12.300 5.632
39 HB2 ASP 9 1HB ASP 9 -15.334 -11.828 3.961
40 HB3 ASP 9 2HB ASP 9 -14.258 -13.191 3.664
41 H SER 10 H SER 10 -13.924 -10.003 3.121
42 HA SER 10 HA SER 10 -11.630 -10.678 1.477
43 HB2 SER 10 1HB SER 10 -14.102 -9.039 1.113
44 HB3 SER 10 2HB SER 10 -12.712 -8.704 0.080
45 HG SER 10 HG SER 10 -13.558 -10.284 -1.045
46 H LYS 11 H LYS 11 -10.592 -9.759 3.726
47 HA LYS 11 HA LYS 11 -10.277 -7.004 4.048
48 HB2 LYS 11 1HB LYS 11 -8.353 -7.521 5.401
49 HB3 LYS 11 2HB LYS 11 -9.588 -8.738 5.698
50 HG2 LYS 11 1HG LYS 11 -8.421 -10.293 4.226
51 HG3 LYS 11 2HG LYS 11 -7.187 -9.070 3.908
52 HD2 LYS 11 1HD LYS 11 -6.191 -10.337 5.566
53 HD3 LYS 11 2HD LYS 11 -6.936 -9.037 6.499
54 HE2 LYS 11 1HE LYS 11 -7.391 -11.126 7.591
55 HE3 LYS 11 2HE LYS 11 -8.891 -10.517 6.893
56 HZ1 LYS 11 3HZ LYS 11 -8.961 -12.173 5.360
57 HZ2 LYS 11 1HZ LYS 11 -8.131 -13.000 6.580
58 HZ3 LYS 11 2HZ LYS 11 -7.280 -12.343 5.275
59 H SER 12 H SER 12 -8.394 -5.672 3.591
60 HA SER 12 HA SER 12 -6.491 -6.437 1.613
61 HB2 SER 12 1HB SER 12 -8.961 -4.995 0.767
62 HB3 SER 12 2HB SER 12 -7.432 -4.505 0.038
63 HG SER 12 HG SER 12 -8.663 -7.053 -0.018
64 H TYR 13 H TYR 13 -5.003 -4.707 1.087
65 HA TYR 13 HA TYR 13 -5.006 -2.608 3.152
66 HB2 TYR 13 1HB TYR 13 -2.606 -3.631 1.631
67 HB3 TYR 13 2HB TYR 13 -2.613 -2.619 3.071
68 HD1 TYR 13 HD2 TYR 13 -3.808 -3.706 5.168
69 HD2 TYR 13 HD1 TYR 13 -2.228 -5.897 1.880
70 HE1 TYR 13 HE2 TYR 13 -3.661 -5.712 6.583
71 HE2 TYR 13 HE1 TYR 13 -2.078 -7.910 3.286
72 HH TYR 13 HH TYR 13 -2.203 -8.701 5.388
73 H ASN 14 H ASN 14 -5.582 -0.687 2.401
74 HA ASN 14 HA ASN 14 -4.876 0.023 -0.367
75 HB2 ASN 14 1HB ASN 14 -6.998 1.314 1.355
76 HB3 ASN 14 2HB ASN 14 -6.746 1.536 -0.374
77 HD21 ASN 14 1HD2 ASN 14 -9.201 0.881 0.452
78 HD22 ASN 14 2HD2 ASN 14 -9.575 -0.756 0.046
79 H CYS 15 H CYS 15 -4.063 2.108 -0.812
80 HA CYS 15 HA CYS 15 -2.335 3.133 1.241
81 HB2 CYS 15 1HB CYS 15 -1.568 3.022 -1.077
82 HB3 CYS 15 2HB CYS 15 -2.859 4.110 -1.574
83 H ASN 16 H ASN 16 -2.901 4.582 2.710
84 HA ASN 16 HA ASN 16 -5.280 6.217 2.286
85 HB2 ASN 16 1HB ASN 16 -4.561 6.873 4.775
86 HB3 ASN 16 2HB ASN 16 -5.468 5.406 4.417
87 HD21 ASN 16 1HD2 ASN 16 -4.241 3.422 4.164
88 HD22 ASN 16 2HD2 ASN 16 -2.790 3.211 5.077
89 H GLU 17 H GLU 17 -3.199 6.971 0.650
90 HA GLU 17 HA GLU 17 -2.531 9.605 1.764
91 HB2 GLU 17 1HB GLU 17 -0.655 7.729 0.325
92 HB3 GLU 17 2HB GLU 17 -0.326 9.443 0.532
93 HG2 GLU 17 1HG GLU 17 0.811 8.039 2.195
94 HG3 GLU 17 2HG GLU 17 -0.296 9.202 2.923
95 H CYS 18 H CYS 18 -2.894 7.585 -1.111
96 HA CYS 18 HA CYS 18 -3.568 10.014 -2.640
97 HB2 CYS 18 1HB CYS 18 -2.742 8.903 -4.649
98 HB3 CYS 18 2HB CYS 18 -1.477 8.968 -3.426
99 H GLY 19 H GLY 19 -4.215 6.545 -2.256
100 HA2 GLY 19 1HA GLY 19 -6.657 6.042 -2.008
101 HA3 GLY 19 2HA GLY 19 -6.875 7.012 -3.456
102 H LYS 20 H LYS 20 -4.427 4.554 -2.707
103 HA LYS 20 HA LYS 20 -5.228 3.143 -5.156
104 HB2 LYS 20 1HB LYS 20 -2.822 3.993 -4.740
105 HB3 LYS 20 2HB LYS 20 -2.690 2.640 -3.623
106 HG2 LYS 20 1HG LYS 20 -2.813 1.066 -5.303
107 HG3 LYS 20 2HG LYS 20 -3.617 2.170 -6.421
108 HD2 LYS 20 1HD LYS 20 -0.856 2.819 -5.508
109 HD3 LYS 20 2HD LYS 20 -1.072 1.544 -6.710
110 HE2 LYS 20 1HE LYS 20 -2.421 3.174 -8.056
111 HE3 LYS 20 2HE LYS 20 -1.940 4.423 -6.909
112 HZ1 LYS 20 3HZ LYS 20 -0.585 3.996 -9.091
113 HZ2 LYS 20 1HZ LYS 20 0.157 2.799 -8.153
114 HZ3 LYS 20 2HZ LYS 20 0.200 4.414 -7.652
115 H ALA 21 H ALA 21 -4.748 0.696 -5.026
116 HA ALA 21 HA ALA 21 -5.458 -0.413 -2.409
117 HB1 ALA 21 3HB ALA 21 -7.600 -0.271 -3.338
118 HB2 ALA 21 1HB ALA 21 -7.035 -0.746 -4.941
119 HB3 ALA 21 2HB ALA 21 -7.104 -1.937 -3.641
120 H PHE 22 H PHE 22 -4.566 -2.374 -1.983
121 HA PHE 22 HA PHE 22 -3.218 -3.788 -4.175
122 HB2 PHE 22 1HB PHE 22 -1.942 -3.357 -1.471
123 HB3 PHE 22 2HB PHE 22 -1.206 -4.065 -2.905
124 HD1 PHE 22 HD1 PHE 22 -2.449 -0.928 -1.420
125 HD2 PHE 22 HD2 PHE 22 -0.215 -2.715 -4.571
126 HE1 PHE 22 HE1 PHE 22 -1.607 1.289 -2.075
127 HE2 PHE 22 HE2 PHE 22 0.633 -0.501 -5.230
128 HZ PHE 22 HZ PHE 22 -0.063 1.504 -3.981
129 H THR 23 H THR 23 -2.812 -6.033 -3.768
130 HA THR 23 HA THR 23 -4.867 -7.218 -2.089
131 HB THR 23 HB THR 23 -2.931 -8.564 -3.983
132 HG1 THR 23 HG1 THR 23 -5.691 -8.039 -4.413
133 HG21 THR 23 3HG2 THR 23 -3.637 -10.317 -2.688
134 HG22 THR 23 1HG2 THR 23 -4.955 -10.268 -3.858
135 HG23 THR 23 2HG2 THR 23 -5.160 -9.536 -2.266
136 H ARG 24 H ARG 24 -1.347 -7.176 -2.371
137 HA ARG 24 HA ARG 24 -1.104 -8.851 0.014
138 HB2 ARG 24 1HB ARG 24 1.047 -7.769 -1.815
139 HB3 ARG 24 2HB ARG 24 1.283 -8.929 -0.514
140 HG2 ARG 24 1HG ARG 24 -0.426 -9.404 -2.947
141 HG3 ARG 24 2HG ARG 24 1.236 -9.965 -2.749
142 HD2 ARG 24 1HD ARG 24 -0.969 -10.662 -0.825
143 HD3 ARG 24 2HD ARG 24 -0.586 -11.645 -2.237
144 HE ARG 24 HE ARG 24 0.959 -11.405 0.196
145 HH11 ARG 24 1HH1 ARG 24 0.917 -12.388 -3.143
146 HH12 ARG 24 2HH1 ARG 24 2.259 -13.472 -2.977
147 HH21 ARG 24 1HH2 ARG 24 2.727 -12.828 0.428
148 HH22 ARG 24 2HH2 ARG 24 3.287 -13.722 -0.945
149 H ILE 25 H ILE 25 0.911 -8.099 1.412
150 HA ILE 25 HA ILE 25 0.183 -5.467 2.414
151 HB ILE 25 HB ILE 25 0.396 -7.295 4.023
152 HG12 ILE 25 1HG1 ILE 25 2.294 -6.148 5.448
153 HG13 ILE 25 2HG1 ILE 25 2.251 -4.950 4.159
154 HG21 ILE 25 1HG2 ILE 25 2.084 -8.614 2.862
155 HG22 ILE 25 2HG2 ILE 25 3.292 -7.373 3.189
156 HG23 ILE 25 3HG2 ILE 25 2.579 -8.281 4.522
157 HD11 ILE 25 3HD1 ILE 25 -0.397 -5.259 4.774
158 HD12 ILE 25 1HD1 ILE 25 0.390 -5.420 6.343
159 HD13 ILE 25 2HD1 ILE 25 0.658 -3.976 5.366
160 H PHE 26 H PHE 26 3.033 -7.164 1.175
161 HA PHE 26 HA PHE 26 4.866 -5.054 1.525
162 HB2 PHE 26 1HB PHE 26 6.251 -6.269 -0.142
163 HB3 PHE 26 2HB PHE 26 5.640 -7.318 1.133
164 HD1 PHE 26 HD1 PHE 26 3.744 -8.850 0.658
165 HD2 PHE 26 HD2 PHE 26 5.686 -6.625 -2.406
166 HE1 PHE 26 HE1 PHE 26 2.784 -10.353 -1.037
167 HE2 PHE 26 HE2 PHE 26 4.729 -8.123 -4.106
168 HZ PHE 26 HZ PHE 26 3.276 -9.990 -3.423
169 H HIS 27 H HIS 27 3.175 -6.130 -1.426
170 HA HIS 27 HA HIS 27 3.986 -4.343 -3.265
171 HB2 HIS 27 1HB HIS 27 1.286 -5.512 -2.720
172 HB3 HIS 27 2HB HIS 27 1.452 -4.300 -3.987
173 HD2 HIS 27 HD2 HIS 27 4.133 -5.304 -5.464
174 HE1 HIS 27 HE1 HIS 27 2.211 -9.080 -5.672
175 HE2 HIS 27 HE2 HIS 27 4.113 -7.664 -6.521
176 H LEU 28 H LEU 28 2.135 -3.616 -0.431
177 HA LEU 28 HA LEU 28 1.341 -0.988 -1.320
178 HB2 LEU 28 1HB LEU 28 -0.175 -1.940 0.164
179 HB3 LEU 28 2HB LEU 28 1.096 -2.526 1.234
180 HG LEU 28 HG LEU 28 1.520 -0.176 1.926
181 HD11 LEU 28 1HD1 LEU 28 0.561 1.566 0.933
182 HD12 LEU 28 2HD1 LEU 28 -1.041 0.838 1.044
183 HD13 LEU 28 3HD1 LEU 28 0.012 0.447 -0.315
184 HD21 LEU 28 3HD2 LEU 28 -0.957 -0.001 2.950
185 HD22 LEU 28 1HD2 LEU 28 0.267 -1.121 3.549
186 HD23 LEU 28 2HD2 LEU 28 -0.967 -1.685 2.422
187 H THR 29 H THR 29 3.404 -2.143 1.354
188 HA THR 29 HA THR 29 4.505 0.217 2.167
189 HB THR 29 HB THR 29 4.951 -2.256 2.950
190 HG1 THR 29 HG1 THR 29 6.987 -0.265 3.111
191 HG21 THR 29 3HG2 THR 29 6.168 -2.846 0.855
192 HG22 THR 29 1HG2 THR 29 7.108 -3.118 2.321
193 HG23 THR 29 2HG2 THR 29 7.429 -1.704 1.318
194 H ARG 30 H ARG 30 5.532 -1.767 -0.580
195 HA ARG 30 HA ARG 30 7.804 -0.236 -1.259
196 HB2 ARG 30 1HB ARG 30 6.123 -1.806 -3.209
197 HB3 ARG 30 2HB ARG 30 7.846 -1.463 -3.296
198 HG2 ARG 30 1HG ARG 30 8.231 -2.897 -1.355
199 HG3 ARG 30 2HG ARG 30 6.502 -3.243 -1.273
200 HD2 ARG 30 1HD ARG 30 8.517 -4.105 -3.307
201 HD3 ARG 30 2HD ARG 30 7.335 -5.073 -2.426
202 HE ARG 30 HE ARG 30 5.731 -4.510 -3.993
203 HH11 ARG 30 1HH1 ARG 30 8.643 -2.677 -4.521
204 HH12 ARG 30 2HH1 ARG 30 8.154 -2.102 -6.081
205 HH21 ARG 30 1HH2 ARG 30 5.076 -3.760 -6.045
206 HH22 ARG 30 2HH2 ARG 30 6.124 -2.718 -6.946
207 H HIS 31 H HIS 31 4.406 0.125 -1.948
208 HA HIS 31 HA HIS 31 4.729 2.026 -4.062
209 HB2 HIS 31 1HB HIS 31 2.686 0.853 -4.090
210 HB3 HIS 31 2HB HIS 31 2.393 1.148 -2.379
211 HD1 HIS 31 HD1 HIS 31 2.545 3.097 -5.636
212 HD2 HIS 31 HD2 HIS 31 0.769 3.267 -1.884
213 HE1 HIS 31 HE1 HIS 31 0.966 5.052 -5.728
214 H GLN 32 H GLN 32 4.100 2.224 -0.588
215 HA GLN 32 HA GLN 32 3.573 4.927 -0.342
216 HB2 GLN 32 1HB GLN 32 5.083 3.111 1.542
217 HB3 GLN 32 2HB GLN 32 4.497 4.714 1.968
218 HG2 GLN 32 1HG GLN 32 2.653 2.578 0.960
219 HG3 GLN 32 2HG GLN 32 3.093 2.704 2.662
220 HE21 GLN 32 1HE2 GLN 32 0.546 2.900 2.292
221 HE22 GLN 32 2HE2 GLN 32 -0.027 4.528 2.356
222 H LYS 33 H LYS 33 6.440 3.431 -1.362
223 HA LYS 33 HA LYS 33 8.448 5.107 -0.448
224 HB2 LYS 33 1HB LYS 33 8.146 3.685 -3.094
225 HB3 LYS 33 2HB LYS 33 9.618 4.518 -2.612
226 HG2 LYS 33 1HG LYS 33 9.638 3.031 -0.570
227 HG3 LYS 33 2HG LYS 33 8.364 2.095 -1.355
228 HD2 LYS 33 1HD LYS 33 9.767 1.325 -3.012
229 HD3 LYS 33 2HD LYS 33 10.865 2.700 -2.867
230 HE2 LYS 33 1HE LYS 33 10.557 0.657 -0.685
231 HE3 LYS 33 2HE LYS 33 11.692 0.440 -2.017
232 HZ1 LYS 33 3HZ LYS 33 12.114 1.846 0.320
233 HZ2 LYS 33 1HZ LYS 33 11.968 3.023 -0.887
234 HZ3 LYS 33 2HZ LYS 33 13.123 1.796 -1.037
235 H ILE 34 H ILE 34 6.054 5.639 -2.938
236 HA ILE 34 HA ILE 34 7.330 8.081 -3.853
237 HB ILE 34 HB ILE 34 5.495 8.267 -5.427
238 HG12 ILE 34 1HG1 ILE 34 4.290 5.695 -4.511
239 HG13 ILE 34 2HG1 ILE 34 3.899 7.159 -3.616
240 HG21 ILE 34 1HG2 ILE 34 7.124 5.853 -5.177
241 HG22 ILE 34 2HG2 ILE 34 5.713 5.662 -6.217
242 HG23 ILE 34 3HG2 ILE 34 6.892 6.929 -6.555
243 HD11 ILE 34 3HD1 ILE 34 2.554 7.918 -5.224
244 HD12 ILE 34 1HD1 ILE 34 3.658 7.437 -6.513
245 HD13 ILE 34 2HD1 ILE 34 2.565 6.250 -5.799
246 H HIS 35 H HIS 35 6.024 7.561 -1.087
247 HA HIS 35 HA HIS 35 4.506 10.083 -1.047
248 HB2 HIS 35 1HB HIS 35 3.874 7.516 0.414
249 HB3 HIS 35 2HB HIS 35 3.139 9.065 0.816
250 HD1 HIS 35 HD1 HIS 35 2.436 10.152 -1.918
251 HD2 HIS 35 HD2 HIS 35 1.888 6.175 -0.847
252 HE1 HIS 35 HE1 HIS 35 0.663 9.276 -3.471
253 H THR 36 H THR 36 7.272 9.827 -0.575
254 HA THR 36 HA THR 36 7.947 9.563 2.145
255 HB THR 36 HB THR 36 9.998 10.857 1.559
256 HG1 THR 36 HG1 THR 36 10.098 11.167 -0.885
257 HG21 THR 36 3HG2 THR 36 10.386 8.629 1.199
258 HG22 THR 36 1HG2 THR 36 10.590 9.230 -0.446
259 HG23 THR 36 2HG2 THR 36 9.070 8.475 0.035
260 H ARG 37 H ARG 37 8.298 11.097 3.758
261 HA ARG 37 HA ARG 37 6.938 13.676 3.325
262 HB2 ARG 37 1HB ARG 37 6.994 11.817 5.676
263 HB3 ARG 37 2HB ARG 37 6.717 13.535 5.925
264 HG2 ARG 37 1HG ARG 37 4.678 13.501 4.865
265 HG3 ARG 37 2HG ARG 37 5.076 12.065 3.919
266 HD2 ARG 37 1HD ARG 37 4.860 10.661 5.853
267 HD3 ARG 37 2HD ARG 37 4.667 12.064 6.904
268 HE ARG 37 HE ARG 37 2.662 12.044 4.911
269 HH11 ARG 37 1HH1 ARG 37 3.611 10.448 7.856
270 HH12 ARG 37 2HH1 ARG 37 1.993 10.010 8.294
271 HH21 ARG 37 1HH2 ARG 37 0.527 11.473 5.477
272 HH22 ARG 37 2HH2 ARG 37 0.240 10.593 6.939
273 H LYS 38 H LYS 38 8.227 15.383 3.365
274 HA LYS 38 HA LYS 38 10.770 15.198 4.839
275 HB2 LYS 38 1HB LYS 38 11.391 17.172 3.288
276 HB3 LYS 38 2HB LYS 38 11.357 15.549 2.610
277 HG2 LYS 38 1HG LYS 38 8.888 17.193 2.446
278 HG3 LYS 38 2HG LYS 38 10.237 17.585 1.377
279 HD2 LYS 38 1HD LYS 38 10.190 14.966 0.969
280 HD3 LYS 38 2HD LYS 38 8.505 15.169 1.455
281 HE2 LYS 38 1HE LYS 38 8.382 15.457 -0.832
282 HE3 LYS 38 2HE LYS 38 8.522 17.120 -0.263
283 HZ1 LYS 38 3HZ LYS 38 11.105 16.256 -0.601
284 HZ2 LYS 38 1HZ LYS 38 10.249 17.299 -1.622
285 HZ3 LYS 38 2HZ LYS 38 10.278 15.639 -1.942
286 H SER 39 H SER 39 9.993 15.900 6.831
287 HA SER 39 HA SER 39 8.435 18.270 7.127
288 HB2 SER 39 1HB SER 39 9.863 16.420 9.003
289 HB3 SER 39 2HB SER 39 9.284 17.977 9.596
290 HG SER 39 HG SER 39 7.248 17.127 8.366
291 H GLY 40 H GLY 40 11.871 17.500 7.580
292 HA2 GLY 40 1HA GLY 40 12.618 20.203 6.941
293 HA3 GLY 40 2HA GLY 40 12.847 19.816 8.640
294 HA PRO 41 HA PRO 41 16.761 18.703 6.484
295 HB2 PRO 41 1HB PRO 41 18.369 19.612 8.474
296 HB3 PRO 41 2HB PRO 41 17.738 20.657 7.196
297 HG2 PRO 41 1HG PRO 41 16.751 20.283 9.998
298 HG3 PRO 41 2HG PRO 41 16.943 21.782 9.070
299 HD2 PRO 41 1HD PRO 41 14.546 20.563 9.388
300 HD3 PRO 41 2HD PRO 41 14.967 21.474 7.924
301 H SER 42 H SER 42 17.628 16.735 6.683
302 HA SER 42 HA SER 42 16.829 14.888 8.604
303 HB2 SER 42 1HB SER 42 19.334 14.844 6.902
304 HB3 SER 42 2HB SER 42 18.642 13.454 7.738
305 HG SER 42 HG SER 42 17.548 13.211 5.962
306 H SER 43 H SER 43 17.090 15.616 10.693
307 HA SER 43 HA SER 43 19.618 16.573 11.661
308 HB2 SER 43 1HB SER 43 16.941 16.016 12.880
309 HB3 SER 43 2HB SER 43 18.341 16.201 13.936
310 HG SER 43 HG SER 43 17.765 18.096 11.928
311 H GLY 44 H GLY 44 17.760 13.569 11.953
312 HA2 GLY 44 1HA GLY 44 20.091 11.975 12.202
313 HA3 GLY 44 2HA GLY 44 19.363 12.222 13.782
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